Details of the Drug

General Information of Drug (ID: DM9QCTJ)

Drug Name
US10065972, Example 560
Synonyms
SCHEMBL18336240; BDBM273119; BDBM273144; BDBM273143; BDBM273093; BDBM273070; US10065972, Example 560; US10065972, Example 265; US10065972, Example 559; US10065972, Example 178; US10065972, Example 347; N-[dideuterio(phenyl)methyl]-1-[7-oxo-5-phenyl-6-(trideuteriomethyl)-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl]pyrrolidine-2-carboxamide; (R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-6,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide; (R)-N-benzyl-1-[6-methyl-7-oxo-5-(2,3,4,5,6-pentadeuteriophenyl)-6,7
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 445.5
Logarithm of the Partition Coefficient (xlogp) 4.1
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C24H23N5O2S
IUPAC Name
(2R)-N-benzyl-1-(6-methyl-7-oxo-5-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-2-yl)pyrrolidine-2-carboxamide
Canonical SMILES
CN1C(=NC2=C(C1=O)N=C(S2)N3CCC[C@@H]3C(=O)NCC4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N5O2S/c1-28-20(17-11-6-3-7-12-17)27-22-19(23(28)31)26-24(32-22)29-14-8-13-18(29)21(30)25-15-16-9-4-2-5-10-16/h2-7,9-12,18H,8,13-15H2,1H3,(H,25,30)/t18-/m1/s1
InChIKey
LYGQOCVESZDBMV-GOSISDBHSA-N
Cross-matching ID
PubChem CID
92045015
ChEBI ID
CHEMBL5893418
TTD ID
D03DSN
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Kynurenine oxoglutarate transaminase II (AADAT) TTT3IXG AADAT_HUMAN Inhibitor [1]
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References

1 Bicyclic or tricyclic heterocyclic compound. US10065972.