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
ChEBI ID
CHEMBL377193
CAS Number
896138-40-2
TTD ID
D0I3XZ
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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]
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]
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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
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
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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.