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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

224.26

Logarithm of the Partition Coefficient (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

1	Discovery of N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea (ABT-869), a 3-aminoindazole-based orally active multitargeted ... J Med Chem. 2007 Apr 5;50(7):1584-97.