Details of the Drug

General Information of Drug (ID: DMTSEXB)

Drug Name
Bis-(5-hydroxy-1H-indol-2-yl)-methanone
Synonyms
Flt-3 Inhibitor II; 896138-40-2; CHEMBL377193; Bis-(5-hydroxy-1H-indol-2-yl)methanone; Bis(5-hydroxy-1H-indol-2-yl)methanone; SCHEMBL2230377; GTPL5971; CTK8F1061; DTXSID40469293; HMS3229E09; IN1480; BDBM50187351; AKOS028113701; CCG-206752; RT-012728; Flt-3 inhibitor II
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) 292.29
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H12N2O3
IUPAC Name
bis(5-hydroxy-1H-indol-2-yl)methanone
Canonical SMILES
C1=CC2=C(C=C1O)C=C(N2)C(=O)C3=CC4=C(N3)C=CC(=C4)O
InChI
InChI=1S/C17H12N2O3/c20-11-1-3-13-9(5-11)7-15(18-13)17(22)16-8-10-6-12(21)2-4-14(10)19-16/h1-8,18-21H
InChIKey
NIMIWWQLOGNYHD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11601743
CAS Number
896138-40-2
TTD ID
D0I3XZ

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]
Platelet-derived growth factor receptor alpha (PDGFRA) TT8FYO9 PGFRA_HUMAN Inhibitor [1]
Platelet-derived growth factor receptor beta (PDGFRB) TTI7421 PGFRB_HUMAN Inhibitor [1]
Tyrosine-protein kinase ABL1 (ABL) TT3PJMV ABL1_HUMAN Inhibitor [1]
Tyrosine-protein kinase Kit (KIT) TTX41N9 KIT_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) 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
Tyrosine-protein kinase Kit (KIT) DTT KIT 2.06E-01 -0.1 -0.14
Platelet-derived growth factor receptor beta (PDGFRB) DTT PDGFRB 5.35E-10 0.36 0.89
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 Novel bis(1H-indol-2-yl)methanones as potent inhibitors of FLT3 and platelet-derived growth factor receptor tyrosine kinase. J Med Chem. 2006 Jun 1;49(11):3101-15.