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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.