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
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
ChEBI ID
CHEMBL222778
CAS Number
819058-89-4
TTD ID
D0Y9GK
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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 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) 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.