Details of the Drug

General Information of Drug (ID: DMBJY1Z)

Drug Name
SCH-900271
Synonyms
SCH-900271; UNII-G2283XQ6VJ; SCH 900271; G2283XQ6VJ; 915210-50-3; CHEMBL2036958; GTPL8469; SCHEMBL12602910; DTXSID00238609; BDBM50384612; SCH900271; SB17408; DB12433; 2H-Pyrano(2,3-d)pyrimidine-2,4,7(1H,3h)-trione, 5-(3-(1-methylcyclopropyl)propyl)-; 5-(3-(1-Methylcyclopropyl)propyl)-1H-pyrano(2,3-d)pyrimidine-2,4,7(3H)-trione
Indication
Disease Entry ICD 11 Status REF
Ischemic stroke 8B11.5Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 276.29
Logarithm of the Partition Coefficient (xlogp) 1.6
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H16N2O4
IUPAC Name
5-[3-(1-methylcyclopropyl)propyl]-1H-pyrano[2,3-d]pyrimidine-2,4,7-trione
Canonical SMILES
CC1(CC1)CCCC2=CC(=O)OC3=C2C(=O)NC(=O)N3
InChI
InChI=1S/C14H16N2O4/c1-14(5-6-14)4-2-3-8-7-9(17)20-12-10(8)11(18)15-13(19)16-12/h7H,2-6H2,1H3,(H2,15,16,18,19)
InChIKey
ARJKMWXLIHZLQZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56950369
CAS Number
915210-50-3
UNII
G2283XQ6VJ
DrugBank ID
DB12433
TTD ID
D01DDN

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nicotinic acid receptor (HCAR2) TTWNV8U HCAR2_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 8469).
2 Discovery of SCH 900271, a Potent Nicotinic Acid Receptor Agonist for the Treatment of Dyslipidemia. ACS Med Chem Lett. 2011 Nov 24;3(1):63-8.