Details of the Drug

General Information of Drug (ID: DMBWAV7)

Drug Name
PMID28766366-Compound-Scheme24-11H-pyrido[4,3-a]carbazole
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 243.26
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H9N3
IUPAC Name
11H-pyrido[4,3-a]carbazole-6-carbonitrile
Canonical SMILES
C1=CC=C2C(=C1)C3=C(C=C4C=NC=CC4=C3N2)C#N
InChI
InChI=1S/C16H9N3/c17-8-10-7-11-9-18-6-5-12(11)16-15(10)13-3-1-2-4-14(13)19-16/h1-7,9,19H
InChIKey
DCPBIOSSTDLFHO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12248893
ChEBI ID
CHEMBL3883764
TTD ID
D0GV3X
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dual-specificity tyrosine-phosphorylation regulated kinase 1A (DYRK1A) TTSBVFO DYR1A_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Dual-specificity tyrosine phosphorylation-regulated kinase 1A (DYRK1A) inhibitors: a survey of recent patent literature.Expert Opin Ther Pat. 2017 Nov;27(11):1183-1199.