Details of the Drug

General Information of Drug (ID: DM83951)

Drug Name

AG-E-85378

Synonyms

N-(4-Chlorophenyl)-2-[(pyridin-4-ylmethyl)amino]benzamide; 269390-69-4; VEGFR Tyrosine Kinase Inhibitor II; VEGF Receptor Tyrosine Kinase Inhibitor II; CHEMBL101683; 3hng; AG-E-85378; ZINC8732; SCHEMBL3005186; GTPL6056; N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)benzamide; CTK4F8762; DTXSID60430900; MolPort-044-561-457; HMS3229O07; IN1017; BDBM50132151; AKOS030580576; DB07288; CCG-206804; NCGC00387770-01; ACM269390694; RT-016223; KB-299355; J-016613; N-(4-Chlorophenyl)-2-(4-pyridinylmethylamino)benzamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

337.8

Topological Polar Surface Area (xlogp)

4.3

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H16ClN3O
IUPAC Name: N-(4-chlorophenyl)-2-(pyridin-4-ylmethylamino)benzamide
Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)NCC3=CC=NC=C3
InChI: InChI=1S/C19H16ClN3O/c20-15-5-7-16(8-6-15)23-19(24)17-3-1-2-4-18(17)22-13-14-9-11-21-12-10-14/h1-12,22H,13H2,(H,23,24)
InChIKey: GGPZCOONYBPZEW-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9797919
CAS Number: 269390-69-4
DrugBank ID: DB07288
TTD ID: D07SRX

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Discovery of N-phenyl nicotinamides as potent inhibitors of Kdr. Bioorg Med Chem Lett. 2007 Nov 1;17(21):6003-8.
2	Preclinical overview of sorafenib, a multikinase inhibitor that targets both Raf and VEGF and PDGF receptor tyrosine kinase signaling.Mol Cancer Ther.2008 Oct;7(10):3129-40.
3	Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors. J Med Chem. 2002 Dec 19;45(26):5687-93.
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
5	2006 drug approvals: finding the niche. Nat Rev Drug Discov. 2007 Feb;6(2):99-101.
6	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
7	A comparison of physicochemical property profiles of marketed oral drugs and orally bioavailable anti-cancer protein kinase inhibitors in clinical development. Curr Top Med Chem. 2007;7(14):1408-22.
8	Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
9	Clinical pipeline report, company report or official report of Exelixis (2011).
10	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services
11	Emerging drugs for ovarian cancer. Expert Opin Emerg Drugs. 2008 Sep;13(3):523-36.