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iGMDRD294

Canonical SMILES: CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC

InChI: InChI=1S/C23H31N3O4S2/c1-15(2)12-17(18(22(28)26-30)14-32-20-10-7-11-31-20)21(27)25-19(23(29)24-3)13-16-8-5-4-6-9-16/h4-11,15,17-19,30H,12-14H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t17-,18+,19+/m1/s1

InChI Key: XFILPEOLDIKJHX-QYZOEREBSA-N

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Batimastat	CHEMBL279786	5362420	D03061	DB03880	Alone	DNC000274	Small Molecule

Drug Class:

Amino Acids Amino Acids, Aromatic Amino Acids, Cyclic Amino Acids, Essential Amino Acids, Peptides, and Proteins Antineoplastic Agents Enzyme Inhibitors Heterocyclic Compounds Heterocyclic Compounds, 1-Ring Metalloendopeptidases, antagonists & inhibitors Sulfur Compounds

Drug Targets:

MMP8 (P22894)MMP12 (P39900)MMP16 (P51512)ADAM28 (Q9UKQ2)ADAMTS5 (Q9UNA0)

Drug Pathways:

Leukocyte transendothelial migration GnRH signaling pathway

Drug Synonyms:

Batimastat (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.
64901	RANBP17	2
4854	NOTCH3	1
6664	SOX11	1
8019	BRD3	1
10221	TRIB1	3
21	ABCA3	1
6581	SLC22A3	3
132	ADK	1
4627	MYH9	1
4168	MCF2	1
2956	MSH6	2
150465	TTL	2
3708	ITPR1	2
10783	NEK6	2
6351	CCL4	3
137994	LETM2	2
701	BUB1B	2
3939	LDHA	2
6597	SMARCA4	1
5133	PDCD1	1
64783	RBM15	1
4313	MMP2	4
10863	ADAM28	3
6598	SMARCB1	1
4170	MCL1	1
3320	HSP90AA1	1
10142	AKAP9	3
23310	NCAPD3	2
2241	FER	1
57172	CAMK1G	3
6887	TAL2	3
80122	MAP3K19	1
202374	STK32A	2
3604	TNFRSF9	1
1111	CHEK1	2
11122	PTPRT	3
5465	PPARA	3
10295	BCKDK	1
7852	CXCR4	6
5900	RALGDS	3
57787	MARK4	2
4478	MSN	3
3556	IL1RAP	1
7416	VDAC1	2
200576	PIKFYVE	2
8313	AXIN2	3
1050	CEBPA	2
5330	PLCB2	1
80129	CCDC170	1
10188	TNK2	2
11169	WDHD1	6
284217	LAMA1	1
269	AMHR2	1
1992	SERPINB1	2
6663	SOX10	2
4140	MARK3	2
92	ACVR2A	1
1452	CSNK1A1	2
1973	EIF4A1	3
5591	PRKDC	2
6464	SHC1	2
124923	SGK494	3
3418	IDH2	2
83903	HASPIN	1
28996	HIPK2	3
575	ADGRB1	2
5289	PIK3C3	1
7867	MAPKAPK3	3
904	CCNT1	1
139728	PNCK	2
4173	MCM4	1
79058	ASPSCR1	2
6794	STK11	3
2322	FLT3	3
5585	PKN1	2
8874	ARHGEF7	3
1555	CYP2B6	2
65125	WNK1	5
5650	KLK7	1
80205	CHD9	2
2081	ERN1	2
632	BGLAP	3
6280	S100A9	3
2175	FANCA	4
4089	SMAD4	3
8288	EPX	2
2668	GDNF	2
78989	COLEC11	2
835	CASP2	2
285220	EPHA6	2
1978	EIF4EBP1	1
1198	CLK3	2
1514	CTSL	1
2931	GSK3A	4
5366	PMAIP1	3
7043	TGFB3	2
2735	GLI1	4
4609	MYC	3
2624	GATA2	3
91	ACVR1B	2
6885	MAP3K7	2
5462	POU5F1B	2
6776	STAT5A	2
5156	PDGFRA	2
375056	MIA3	1
1544	CYP1A2	1
3949	LDLR	2
6011	GRK1	2
4863	NPAT	2
120892	LRRK2	2
89795	NAV3	2
6095	RORA	2
5128	CDK17	2
8626	TP63	1
9113	LATS1	1
460	ASTN1	2
5294	PIK3CG	3
4298	MLLT1	1
11262	SP140	1
664	BNIP3	3
23598	PATZ1	3
23049	SMG1	2
10010	TANK	2
23476	BRD4	1
5728	PTEN	1
284086	NEK8	1
83666	PARP9	1
5305	PIP4K2A	1
6146	RPL22	2
2264	FGFR4	2
2870	GRK6	2
9344	TAOK2	1
23090	ZNF423	4
6498	SKIL	2
7465	WEE1	3
7036	TFR2	1
85415	RHPN2	3
55359	STYK1	3
29959	NRBP1	1
9372	ZFYVE9	3
54861	SNRK	2
344905	ATP13A5	3
7248	TSC1	2
5395	PMS2	2
53353	LRP1B	3
7094	TLN1	3
3181	HNRNPA2B1	3
9659	PDE4DIP	1
54101	RIPK4	3
2130	EWSR1	2
5927	KDM5A	2
5589	PRKCSH	3
5170	PDPK1	2
57448	BIRC6	1
8317	CDC7	1
1627	DBN1	1
57147	SCYL3	1
23301	EHBP1	1
8428	STK24	2
330	BIRC3	3
4261	CIITA	2
84072	HORMAD1	2
170685	NUDT10	1
23250	ATP11A	3
4217	MAP3K5	1
2308	FOXO1	3
3488	IGFBP5	2
11086	ADAM29	2
142	PARP1	2
4040	LRP6	1
79966	SCD5	3
1994	ELAVL1	3
4593	MUSK	1
814	CAMK4	1
7294	TXK	2
6868	ADAM17	3
27255	CNTN6	2
2904	GRIN2B	2

Gene in drug-gene network: Network Plot

Models in Batimastat

SITE

DATATYPES

CLASSFICATION

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