Details of the Drug

General Information of Drug (ID: DMK1IWD)

Drug Name

4-(4-aminophenyl)-1H-indazol-3yl-amine

Synonyms

4-(4-aminophenyl)-1H-indazol-3-amine; 819058-89-4; CHEMBL222778; Flt3 Inhibitor IV; 4-(4-aminophenyl)-1H-indazol-3yl-amine; SCHEMBL421242; DTXSID90583110; 3-amino-4-(4-aminophenyl)indazole; BDBM50207472; ZINC35324130; AKOS025401748; QC-1103; AC-25079; 1H-Indazol-3-amine,4-(4-aminophenyl)-

Indication

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

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

224.26

Topological Polar Surface Area (xlogp)

2.2

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C13H12N4
IUPAC Name: 4-(4-aminophenyl)-1H-indazol-3-amine
Canonical SMILES: C1=CC(=C2C(=C1)NN=C2N)C3=CC=C(C=C3)N
InChI: InChI=1S/C13H12N4/c14-9-6-4-8(5-7-9)10-2-1-3-11-12(10)13(15)17-16-11/h1-7H,14H2,(H3,15,16,17)
InChIKey: KHQLSBOHZQJRPC-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16125106
CAS Number: 819058-89-4
TTD ID: D0Y9GK

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fms-like tyrosine kinase 3 (FLT-3)	TTGJCWZ	FLT3_HUMAN	Inhibitor	[1]
Tyrosine-protein kinase Kit (KIT)	TTX41N9	KIT_HUMAN	Inhibitor	[1]
Vascular endothelial growth factor receptor 2 (KDR)	TTUTJGQ	VGFR2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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
Tyrosine-protein kinase Kit (KIT)	DTT	KIT	2.06E-01	-0.1	-0.14
Vascular endothelial growth factor receptor 2 (KDR)	DTT	KDR	1.98E-01	0.11	0.2
Fms-like tyrosine kinase 3 (FLT-3)	DTT	FLT3	2.11E-01	-0.05	-0.16

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

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2	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.
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11	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1807).
12	2014 FDA drug approvals. Nat Rev Drug Discov. 2015 Feb;14(2):77-81.
13	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
14	Lestaurtinib (CEP701) is a JAK2 inhibitor that suppresses JAK2/STAT5 signaling and the proliferation of primary erythroid cells from patients with ... Blood. 2008 Jun 15;111(12):5663-71.
15	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
16	Anthranilic acid amides: a novel class of antiangiogenic VEGF receptor kinase inhibitors. J Med Chem. 2002 Dec 19;45(26):5687-93.
17	2006 drug approvals: finding the niche. Nat Rev Drug Discov. 2007 Feb;6(2):99-101.
18	Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
19	Clinical pipeline report, company report or official report of Exelixis (2011).
20	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services
21	Emerging drugs for ovarian cancer. Expert Opin Emerg Drugs. 2008 Sep;13(3):523-36.