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iGMDRD68

Canonical SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C

InChI: InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38-,40-,45+,46-,47+/m0/s1

InChI Key: RCINICONZNJXQF-MZXODVADSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Paclitaxel	CHEMBL428647	36314	D05333	DB01229	Alone	DNC001411	Small Molecule

Drug Class:

Albumins Amino Acids, Peptides, and Proteins Antimitotic Agents Antineoplastic Agents Antineoplastic Agents, Phytogenic Antineoplastic and Immunomodulating Agents Cardiotoxic antineoplastic agents Cyclodecanes Cycloparaffins Cytochrome P-450 CYP2C8 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak)Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Diterpenes Hydrocarbons Hydrocarbons, Alicyclic Hydrocarbons, Cyclic Hypotensive Agents Immunosuppressive Agents Macrocyclic Compounds Microtubule Inhibitors Mitosis Modulators Myelosuppressive Agents P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Polycyclic Compounds Proteins Taxane Derivatives Taxoids Terpenes Tubulin Modulators Cytotoxic

Drug Targets:

beta-tubulin Microtubules TUBB1 (Q9H4B7)BCL2 (P10415)NR1I2 (O75469)MAP4 (P27816)MAP2 (P11137)MAPT (P10636)

Drug Pathways:

Gap junction Mitosis Diterpenoid biosynthesis Biosynthesis of terpenoids and steroids Metabolic pathways Biosynthesis of secondary metabolites Bile secretion

Drug Synonyms:

Paclitaxel poliglumex (USAN/INN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
7514	XPO1	2
2352	FOLR3	1
3283	HSD3B1	1
22872	SEC31A	1
705	BYSL	1
100421975	CBX3P7	1
6191	RPS4X	1
3921	RPSA	1
79587	CARS2	1
8318	CDC45	2
2956	MSH6	1
55872	PBK	1
10647	SCGB1D2	1
100652759	PRICKLE2-AS1	2
645161	RPL12P8	1
285958	SNHG15	1
84318	CCDC77	1
2114	ETS2	1
3845	KRAS	2
55743	CHFR	1
57453	DSCAML1	1
6132	RPL8	2
102724560	CBSL	1
3690	ITGB3	1
158038	LINGO2	1
25759	SHC2	1
4238	MFAP3	1
84572	GNPTG	1
1854	DUT	1
6597	SMARCA4	1
4036	LRP2	1
100270834	RPL5P13	2
6202	RPS8	2
5424	POLD1	1
57169	ZNFX1	1
4771	NF2	1
100288420	NDUFB4P3	2
692158	SNORA57	1
7919	DDX39B	1
79712	GTDC1	1
4170	MCL1	1
27250	PDCD4	1
619571	SNORD96A	1
89845	ABCC10	1
6209	RPS15	1
84299	MIEN1	1
7311	UBA52	1
11252	PACSIN2	1
10916	MAGED2	2
83992	CTTNBP2	2
481	ATP1B1	1
102724035	NDUFA5P2	1
10541	ANP32B	2
6229	RPS24	1
2950	GSTP1	1
6203	RPS9	2
6519	SLC3A1	1
55038	CDCA4	1
106481063	RN7SL515P	2
29855	UBN1	1
26815	SNORD36A	1
85477	SCIN	1
10212	DDX39A	1
6141	RPL18	1
51257	MARCH2	1
4176	MCM7	1
644511	RPL13AP6	1
8242	KDM5C	1
54108	CHRAC1	2
348825	TPRXL	1
5159	PDGFRB	1
6187	RPS2	1
4851	NOTCH1	1
55294	FBXW7	1
6880	TAF9	2
6159	RPL29	2
5067	CNTN3	1
6171	RPL41	2
100131187	TSTD1	1
5914	RARA	1
90390	MED30	2
4610	MYCL	1
51365	PLA1A	1
84239	ATP13A4	1
100532737	ATP6V1G2-DDX39B	1
106481851	RN7SL592P	1
3339	HSPG2	1
23149	FCHO1	1
6839	SUV39H1	1
3084	NRG1	1
51268	PIPOX	1
646643	SBK2	1
10564	ARFGEF2	2
147166	TRIM16L	1
7182	NR2C2	1
6204	RPS10	2
4300	MLLT3	1
8933	RTL8C	1
2830	GPR6	2
54985	HCFC1R1	1
3363	HTR7	1
100506020	ARAP1-AS2	1
80325	ABTB1	1
647276	RPL4P4	1
4216	MAP3K4	1
6928	HNF1B	2
6156	RPL30	1
80031	SEMA6D	1
59084	ENPP5	2
10166	SLC25A15	2
10379	IRF9	1
145259	RPSAP4	1
100421389	HNRNPA1P9	2
51426	POLK	1
106479938	RNU6-840P	1
94103	ORMDL3	2
339768	ESPNL	1
6850	SYK	1
7126	TNFAIP1	1
94031	HTRA3	1
7351	UCP2	1
51617	NSG2	1
388524	RPSAP58	2
6206	RPS12	1
8714	ABCC3	1
10988	METAP2	1
5796	PTPRK	1
30834	ZNRD1	1
2068	ERCC2	1
9045	RPL14	1
3680	ITGA9	1
91010	FMNL3	1
6037	RNASE3	1
9328	GTF3C5	1
57535	KIAA1324	1
23642	SNHG1	1
3646	EIF3E	1
2993	GYPA	1
100271391	RPL21P133	1
64711	HS3ST6	1
441550	RPS4XP11	3
388707	RPSAP18	1
5243	ABCB1	4
64843	ISL2	1
1029	CDKN2A	2
5799	PTPRN2	1
145837	DRAIC	1
26792	SNORD57	1
4585	MUC4	1
6949	TCOF1	1
1910	EDNRB	1
6128	RPL6	2
30968	STOML2	1
54948	MRPL16	1
55135	WRAP53	2
3796	KIF2A	1
5834	PYGB	1
6044	SNORA62	1
23705	CADM1	1
100507540	LINC01504	1
7157	TP53	2
3015	H2AFZ	1
6794	STK11	1
6169	RPL38	1
51053	GMNN	2
51759	C9orf78	1
4292	MLH1	2
57758	SCUBE2	1
2263	FGFR2	1
4086	SMAD1	1
2894	GRID1	1
677824	SNORA17B	1
4246	SCGB2A1	2
57001	SDHAF3	2
400224	PLEKHD1	1
7038	TG	1
2177	FANCD2	1
8076	MFAP5	1
9304	SNORD22	1
9768	PCLAF	1
106481658	ENPP7P3	1
284751	LINC01270	1
100507303	SNHG19	1
9299	SNORD30	1
6625	SNRNP70	1
10354	HMGB1P5	1
26494	OR8G1	2
6136	RPL12	2
116447	TOP1MT	1
344887	NMRAL2P	1
401537	RPSAP49	2
5888	RAD51	1
101928941	RHOXF1P1	1
4089	SMAD4	1
90506	LRRC46	1
55607	PPP1R9A	1
387103	CENPW	1
25891	PAMR1	2
644464	RPSAP61	2
1198	CLK3	2
57473	ZNF512B	1
5290	PIK3CA	1
51187	RSL24D1	2
253260	RICTOR	1
57834	CYP4F11	1
6218	RPS17	2
204777	IGLJCOR18	1
201229	LYRM9	1
10155	TRIM28	1
126823	KLHDC9	2
79621	RNASEH2B	2
9378	NRXN1	1
283412	RPL29P12	1
4609	MYC	1
2624	GATA2	1
51082	POLR1D	1
55159	RFWD3	1
26018	LRIG1	1
5859	QARS	1
395	ARHGAP6	1
1031	CDKN2C	1
81544	GDPD5	1
641372	ACOT6	1
78996	CYREN	1
100128377	RPS29P7	2
79605	PGBD5	1
673	BRAF	1
79668	PARP8	1
100131863	RPS18P5	2
10381	TUBB3	2
3925	STMN1	1
115426	UHRF2	1
345757	FAM174A	2
3485	IGFBP2	1
55758	RCOR3	1
497661	C18orf32	2
574042	SNORA10	1
27248	ERLEC1	1
90381	TICRR	1
3300	DNAJB2	1
460	ASTN1	1
100506343	INKA2-AS1	1
7076	TIMP1	1
146110	RPL7P47	2
10473	HMGN4	1
387122	WASF5P	2
5052	PRDX1	2
10036	CHAF1A	2
221262	CCDC162P	1
23029	RBM34	2
51226	COPZ2	1
84141	EVA1A	1
51188	SS18L2	2
6428	SRSF3	1
2900	GRIK4	2
5728	PTEN	2
85450	ITPRIP	1
64946	CENPH	1
100529239	RPS10-NUDT3	1
100529097	RPL36A-HNRNPH2	1
8420	SNHG3	1
6125	RPL5	2
51008	ASCC1	1
6155	RPL27	2
79752	ZFAND1	1
3615	IMPDH2	1
60674	GAS5	2
124961	ZFP3	1
4736	RPL10A	2
2648	KAT2A	1
55195	CCDC198	2
728215	FAM155A	1
677830	SNORA50A	1
4521	NUDT1	2
11095	ADAMTS8	1
155465	AGR3	1
51385	ZNF589	1
106481547	RNU6-1163P	1
348013	TMEM255B	1
10082	GPC6	1
100287225	LINC01630	1
130951	M1AP	1
11331	PHB2	1
84057	MND1	2
284385	ZNF561-AS1	1
677842	SNORA50C	1
54578	UGT1A6	1
55002	TMCO3	1
53373	TPCN1	1
619563	SNORA7A	1
5331	PLCB3	1
4116	MAGOH	1
166336	PRICKLE2	1
100130561	HMGB1P10	2
677799	SNORA11	1
10681	GNB5	1
56931	DUS3L	1
1678	TIMM8A	1
677804	SNORA17A	2
730029	RPSAP19	1
100271229	RPL9P33	2
170961	ANKRD24	1
9581	PREPL	1
10111	RAD50	1
6790	AURKA	1
9223	MAGI1	1
326294	RPL23AP11	1
1841	DTYMK	1
378708	CENPS	1
106479113	RN7SKP40	2
377381	RPL24P4	2
29091	STXBP6	2
5744	PTHLH	1
6130	RPL7A	2
642641	RPSAP54	1
9520	NPEPPS	1
7086	TKT	2
222662	LHFPL5	1
3872	KRT17	1
645387	RPL6P27	1
121227	LRIG3	1
9148	NEURL1	1
5111	PCNA	1
57016	AKR1B10	3
5982	RFC2	1
81163	OR8Q1P	1
692106	SNORD65	1
11224	RPL35	2
6161	RPL32	1
55037	PTCD3	1
51430	SUCO	1
105376843	SNHG25	1
128580	RPS4XP3	2
574414	PRR9	1
220885	RPSAP15	1
728621	CCDC30	1
63916	ELMO2	1
6628	SNRPB	2
4796	TONSL	1
102465466	MIR6777	1
165545	DQX1	1
83592	AKR1E2	1
6633	SNRPD2	1
9830	TRIM14	1
7112	TMPO	1
29128	UHRF1	2
8877	SPHK1	2
390269	OR8F1P	2
1937	EEF1G	1
645292	HMGB1P6	2
57449	PLEKHG5	1
5925	RB1	1
646300	COL6A4P2	2
4893	NRAS	1
80315	CPEB4	2
1933	EEF1B2	1
2065	ERBB3	1
25854	FAM149A	1
6224	RPS20	1
10668	CGRRF1	1
7403	KDM6A	1
4615	MYD88	1
10799	RPP40	1
81929	SEH1L	2
287	ANK2	1
283131	NEAT1	1
8869	ST3GAL5	1
79746	ECHDC3	1
26231	LRRC29	2
9476	NAPSA	1
9570	GOSR2	1
728658	RPL13AP5	1
100129792	CCDC152	2
25873	RPL36	2
3860	KRT13	1
154661	RUNDC3B	1
595	CCND1	2
693153	MIR568	1
4763	NF1	1
338651	KRTAP5-AS1	1
1612	DAPK1	2
100422926	MIR3137	2
4613	MYCN	1
9133	CCNB2	1
104355288	LINC01320	2
6173	RPL36A	2
64097	EPB41L4A	1
144581	RPL14P1	1
6990	DYNLT3	1
8677	STX10	2
5244	ABCB4	1
59269	HIVEP3	1
844	CASQ1	1
100422896	MIR3140	1
2178	FANCE	2
1803	DPP4	1
64374	SIL1	1
6208	RPS14	2
29767	TMOD2	1
1499	CTNNB1	1
6170	RPL39	2
2892	GRIA3	1
773	CACNA1A	1
5624	PROC	1
283160	OR8D2	2

Gene in drug-gene network: Network Plot

Models in Paclitaxel

SITE

DATATYPES

CLASSFICATION

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