Details of the Drug

General Information of Drug (ID: DMGVT5Y)

Drug Name
PMID28766366-Compound-Scheme25-3
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 303.3
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C18H13N3O2
IUPAC Name
1,9-dimethoxy-11H-pyrido[4,3-a]carbazole-6-carbonitrile
Canonical SMILES
COC1=CC2=C(C=C1)C3=C(C=C4C=NC=C(C4=C3N2)OC)C#N
InChI
InChI=1S/C18H13N3O2/c1-22-12-3-4-13-14(6-12)21-18-16(13)10(7-19)5-11-8-20-9-15(23-2)17(11)18/h3-6,8-9,21H,1-2H3
InChIKey
WAJNOEPHTZIWTO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
77105818
ChEBI ID
CHEMBL3884821
TTD ID
D0CC7E
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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]
Dual-specificity tyrosine-phosphorylation regulated kinase 1B (DYRK1B) TTYGQ8A DYR1B_HUMAN Inhibitor [1]
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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.