Details of the Drug

General Information of Drug (ID: DMVBPML)

Drug Name
PMID28766366-Compound-Scheme9EHT3356
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 349.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C18H15N5OS
IUPAC Name
methyl 9-(4-methylanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
Canonical SMILES
CC1=CC=C(C=C1)NC2=NC=NC3=C2C4=C(C=C3)N=C(S4)C(=N)OC
InChI
InChI=1S/C18H15N5OS/c1-10-3-5-11(6-4-10)22-17-14-12(20-9-21-17)7-8-13-15(14)25-18(23-13)16(19)24-2/h3-9,19H,1-2H3,(H,20,21,22)
InChIKey
AVKKQBJQERVCTD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71529599
TTD ID
D0DT5I

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]
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.