Details of the Drug

General Information of Drug (ID: DMPBNYM)

Drug Name
(5-hydroxy-1H-indol-2-yl)(1H-indol-2-yl)methanone
Synonyms
CHEMBL7735; PDGF Receptor Tyrosine Kinase Inhibitor I; D-64406; (5-Hydroxy-1H-2-indolyl)(1H-2-indolyl)-methanone; 249762-62-7; AC1NS9CN; BDBM6581; SCHEMBL4456469; CHEBI:92486; ZINC24261; CTK0J4476; DTXSID20416205; Bis(1H-2-indolyl)methanone 39; IN1158; HSCI1_000198; NCGC00185731-01; 5-Hydroxy-[2,2'-carbonylbis(1H-indole)]; 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-ol; BRD-K27665173-001-01-3; (5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone; Methanone, (5-hydroxy-1H-indol-2-yl)-1H-indol-2-yl-
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) 276.29
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H12N2O2
IUPAC Name
(5-hydroxy-1H-indol-2-yl)-(1H-indol-2-yl)methanone
Canonical SMILES
C1=CC=C2C(=C1)C=C(N2)C(=O)C3=CC4=C(N3)C=CC(=C4)O
InChI
InChI=1S/C17H12N2O2/c20-12-5-6-14-11(7-12)9-16(19-14)17(21)15-8-10-3-1-2-4-13(10)18-15/h1-9,18-20H
InChIKey
AALNCHNFTKRFEL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
5330535
ChEBI ID
CHEMBL7735
CAS Number
249762-62-7
TTD ID
D0XS9E
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Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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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]
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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
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.