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iGMDRD23

Canonical SMILES: CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C

InChI: InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3

InChI Key: QBKSWRVVCFFDOT-UHFFFAOYSA-N

Standard Name	CHEMBL	Pubchem CID	DRUGBANK ID	Drug Status	Drug Type
Gossypol	CHEMBL51483	3503	DB13044	Alone	Small Molecule

Drug Class:

Contraceptive Agents Contraceptive Agents, Male Hydrocarbons Reproductive Control Agents Sesquiterpenes Terpenes

Drug Targets:

BCL2L1 (Q07817)BCL2 LDHA LDHB LDHC

Drug Pathways:

Sesquiterpenoid and triterpenoid biosynthesis Biosynthesis of terpenoids and steroids Biosynthesis of secondary metabolites

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.
331	XIAP	2
3696	ITGB8	2
27102	EIF2AK1	2
6664	SOX11	3
8019	BRD3	6
5027	P2RX7	3
79054	TRPM8	1
10221	TRIB1	1
23085	ERC1	3
6581	SLC22A3	1
132	ADK	6
3383	ICAM1	3
6774	STAT3	3
5933	RBL1	3
6195	RPS6KA1	2
7750	ZMYM2	3
5546	PRCC	3
10806	SDCCAG8	4
23513	SCRIB	3
2956	MSH6	2
2200	FBN1	4
220064	LTO1	3
4477	MSMB	2
57554	LRRC7	7
1969	EPHA2	4
1138	CHRNA5	3
4750	NEK1	1
2100	ESR2	5
8289	ARID1A	2
701	BUB1B	6
25778	DSTYK	4
2335	FN1	3
79092	CARD14	3
53616	ADAM22	2
4352	MPL	5
9475	ROCK2	2
3551	IKBKB	3
7764	ZNF217	2
5133	PDCD1	2
3069	HDLBP	6
4094	MAF	3
79820	CATSPERB	3
390502	SERPINA2	3
5754	PTK7	2
56776	FMN2	2
4771	NF2	2
4313	MMP2	1
23235	SIK2	3
1786	DNMT1	3
10863	ADAM28	6
23213	SULF1	6
9641	IKBKE	3
7253	TSHR	3
5298	PI4KB	6
3841	KPNA5	3
2241	FER	1
22821	RASA3	3
5154	PDGFA	3
114908	TMEM123	4
2249	FGF4	5
7080	NKX2-1	3
577	ADGRB3	1
1387	CREBBP	2
7555	CNBP	3
5467	PPARD	3
5788	PTPRC	3
2313	FLI1	3
10013	HDAC6	1
5579	PRKCB	5
11200	CHEK2	6
31	ACACA	1
10178	TENM1	8
9699	RIMS2	2
5596	MAPK4	2
57472	CNOT6	3
5966	REL	3
9411	ARHGAP29	5
3604	TNFRSF9	2
2977	GUCY1A2	4
10438	C1D	3
5159	PDGFRB	1
5314	PKHD1	2
2033	EP300	4
641	BLM	2
23522	KAT6B	5
55728	N4BP2	2
10006	ABI1	2
284521	OR2L13	3
4301	AFDN	6
84033	OBSCN	3
5607	MAP2K5	2
152137	CCDC50	5
8767	RIPK2	6
222484	LNX2	2
1586	CYP17A1	5
3714	JAG2	2
5613	PRKX	3
10342	TFG	3
7416	VDAC1	3
22984	PDCD11	5
6041	RNASEL	1
200576	PIKFYVE	2
1437	CSF2	2
6733	SRPK2	6
6091	ROBO1	2
2042	EPHA3	4
1050	CEBPA	1
4792	NFKBIA	1
23255	MTCL1	5
9636	ISG15	5
2908	NR3C1	2
51804	SIX4	3
1984	EIF5A	3
7088	TLE1	2
269	AMHR2	2
83931	STK40	3
1992	SERPINB1	3
7016	TESK1	1
238	ALK	3
375449	MAST4	2
4752	NEK3	3
22858	ICK	2
2064	ERBB2	2
85443	DCLK3	3
83983	TSSK6	2
65217	PCDH15	7
23191	CYFIP1	4
1456	CSNK1G3	6
783	CACNB2	2
6416	MAP2K4	5
9759	HDAC4	2
8215	DVL1P1	3
158056	MAMDC4	3
50488	MINK1	9
2068	ERCC2	2
5568	PRKACG	3
6098	ROS1	5
9472	AKAP6	2
2778	GNAS	3
472	ATM	6
8945	BTRC	2
1009	CDH11	2
139285	AMER1	8
8148	TAF15	2
28996	HIPK2	4
53942	CNTN5	7
3397	ID1	3
2734	GLG1	1
9564	BCAR1	1
4058	LTK	2
1496	CTNNA2	1
7010	TEK	3
7533	YWHAH	4
5450	POU2AF1	4
91461	PKDCC	3
2050	EPHB4	5
2272	FHIT	3
839	CASP6	3
51517	NCKIPSD	3
10290	SPEG	2
83694	RPS6KL1	3
11197	WIF1	3
3932	LCK	3
7157	TP53	1
2099	ESR1	3
6092	ROBO2	3
4602	MYB	3
2322	FLT3	3
57194	ATP10A	2
8218	CLTCL1	3
3791	KDR	3
836	CASP3	3
114788	CSMD3	5
2263	FGFR2	1
4086	SMAD1	1
2133	EXT3	3
9967	THRAP3	3
1045	CDX2	2
863	CBFA2T3	3
10516	FBLN5	3
1102	RCBTB2	1
55437	STRADB	4
2309	FOXO3	1
9965	FGF19	3
6197	RPS6KA3	5
57188	ADAMTSL3	1
50945	TBX22	3
652	BMP4	3
5650	KLK7	3
3718	JAK3	3
8997	KALRN	5
2071	ERCC3	6
23269	MGA	2
5888	RAD51	3
23469	PHF3	5
4089	SMAD4	3
1616	DAXX	5
2668	GDNF	6
10948	STARD3	1
7204	TRIO	5
139760	GPR119	4
78989	COLEC11	2
23373	CRTC1	2
9448	MAP4K4	6
285220	EPHA6	7
546	ATRX	4
51366	UBR5	3
10926	DBF4	2
30827	CXXC1	6
57144	PAK5	3
340533	NEXMIF	2
602	BCL3	3
9972	NUP153	3
3239	HOXD13	3
50615	IL21R	2
5290	PIK3CA	1
3562	IL3	3
92335	STRADA	2
3720	JARID2	1
8202	NCOA3	3
4293	MAP3K9	3
64919	BCL11B	2
57154	SMURF1	3
5530	PPP3CA	3
675	BRCA2	3
3458	IFNG	2
7075	TIE1	3
744	MPPED2	2
8445	DYRK2	5
4609	MYC	1
64750	SMURF2	2
90956	ADCK2	3
5789	PTPRD	1
6725	SRMS	2
90427	BMF	2
8682	PEA15	1
4684	NCAM1	5
6885	MAP3K7	3
894	CCND2	2
283629	TSSK4	3
1440	CSF3	2
29951	PDZRN4	5
6776	STAT5A	2
79759	ZNF668	2
5592	PRKG1	5
5156	PDGFRA	1
375056	MIA3	2
1544	CYP1A2	3
10000	AKT3	3
7189	TRAF6	7
23005	MAPKBP1	3
10186	LHFPL6	1
6872	TAF1	3
673	BRAF	2
7153	TOP2A	4
84630	TTBK1	2
1213	CLTC	4
4790	NFKB1	2
22976	PAXIP1	3
23532	PRAME	8
4863	NPAT	2
57538	ALPK3	3
8924	HERC2	4
120892	LRRK2	2
6095	RORA	2
29844	TFPT	4
57507	ZNF608	4
7301	TYRO3	3
5205	ATP8B1	2
9064	MAP3K6	2
7849	PAX8	3
4298	MLLT1	6
9451	EIF2AK3	2
162968	ZNF497	3
9509	ADAMTS2	5
3229	HOXC13	3
10010	TANK	2
8312	AXIN1	4
1806	DPYD	3
10752	CHL1	3
5728	PTEN	1
1487	CTBP1	6
2316	FLNA	3
8888	MCM3AP	2
667	DST	8
115701	ALPK2	1
352909	DNAAF3	3
10962	MLLT11	2
7273	TTN	2
995	CDC25C	4
7465	WEE1	3
6789	STK4	3
348378	SHISAL2A	3
7059	THBS3	3
7454	WAS	1
7036	TFR2	3
85415	RHPN2	1
23389	MED13L	2
54904	NSD3	2
23411	SIRT1	1
53904	MYO3A	2
387	RHOA	3
55561	CDC42BPG	3
10249	GLYAT	5
8805	TRIM24	1
22843	PPM1E	1
23305	ACSL6	1
10595	ERN2	4
1643	DDB2	2
54738	FEV	3
344905	ATP13A5	3
5588	PRKCQ	3
5291	PIK3CB	4
10076	PTPRU	2
9748	SLK	3
57680	CHD8	2
5923	RASGRF1	6
2690	GHR	5
2317	FLNB	4
53353	LRP1B	2
9201	DCLK1	6
63976	PRDM16	1
54101	RIPK4	3
6093	ROCK1	1
3557	IL1RN	6
5335	PLCG1	2
2130	EWSR1	2
131890	GRK7	2
2194	FASN	3
4628	MYH10	3
598	BCL2L1	3
5587	PRKD1	2
55007	FAM118A	5
1719	DHFR	3
5589	PRKCSH	2
2157	F8	1
7227	TRPS1	3
79837	PIP4K2C	5
6778	STAT6	2
4221	MEN1	3
8899	PRPF4B	2
1030	CDKN2B	1
3984	LIMK1	2
4772	NFATC1	2
51562	MBIP	6
84072	HORMAD1	3
444	ASPH	3
23250	ATP11A	3
7046	TGFBR1	3
80781	COL18A1	3
5087	PBX1	3
2903	GRIN2A	2
5925	RB1	3
4893	NRAS	4
25	ABL1	3
7403	KDM6A	2
54790	TET2	3
2258	FGF13	3
4302	MLLT6	3
51364	ZMYND10	3
197259	MLKL	2
255239	ANKK1	3
7040	TGFB1	5
3488	IGFBP5	1
3480	IGF1R	3
2011	MARK2	2
11086	ADAM29	3
142	PARP1	2
2261	FGFR3	3
23072	HECW1	3
2073	ERCC5	2
4841	NONO	1
595	CCND1	3
4763	NF1	3
1612	DAPK1	2
1840	DTX1	4
10891	PPARGC1A	3
5288	PIK3C2G	5
2044	EPHA5	4
2280	FKBP1A	3
2246	FGF1	3
3679	ITGA7	3
1608	DGKG	5
3265	HRAS	10
4193	MDM2	2
23112	TNRC6B	2
83732	RIOK1	6
5602	MAPK10	2
1436	CSF1R	6
4916	NTRK3	5
1795	DOCK3	2
5970	RELA	1
578	BAK1	3

Gene in drug-gene network: Network Plot

Models in Gossypol

SITE

DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.