Details of the Drug

General Information of Drug (ID: DMZRXTL)

Drug Name

E7820

Synonyms

E7820; 289483-69-8; E-7820; E 7820; UNII-TVH5K7949N; TVH5K7949N; 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide; NSC-719239; N-(3-cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzenesulfonamide; Benzenesulfonamide, 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)-; LWGUASZLXHYWIV-UHFFFAOYSA-N; AC1L52N5; ZINC8704; SCHEMBL1581157; DTXSID20183142; BCP25835; EX-A1818; 3-Cyano-N-(3-cyano-4-methyl-1H-indole-7-yl)benzensulfonamide; NSC719239; AKOS032944953; CS-6075

Indication

Disease Entry	ICD 11	Status	REF
Colorectal cancer	2B91.Z	Phase 2	[1]
Solid tumour/cancer	2A00-2F9Z	Phase 2	[2]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

336.4

Logarithm of the Partition Coefficient (xlogp)

2.4

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C17H12N4O2S
IUPAC Name: 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide
Canonical SMILES: CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N
InChI: InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3
InChIKey: LWGUASZLXHYWIV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 196970
CAS Number: 289483-69-8
DrugBank ID: DB12505
TTD ID: D02BQE

Combinatorial Drugs (CBD)

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Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Integrin alpha-2 (ITGA2)	TTSJ542	ITA2_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00309179) A Phase II Study of the Safety and Efficacy of E7820 Plus Cetuximab in Colorectal Cancer, Preceded by a Run-in Study in Advanced Solid Tumors. U.S. National Institutes of Health.
2	Phase I study of E7820, an oral inhibitor of integrin alpha-2 expression with antiangiogenic properties, in patients with advanced malignancies. Clin Cancer Res. 2011 Jan 1;17(1):193-200.