Details of the Drug

General Information of Drug (ID: DMR7H2V)

Drug Name

PRX-08066

Synonyms

PRX-08066; 866206-54-4; PRX-08066 free base; UNII-82SK298EBU; PRX 08066; CHEMBL513994; 82SK298EBU; 5-((4-(6-chlorothieno[2,3-d]pyrimidin-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile; SCHEMBL1604039; DTXSID60235710; IENZFHBNCRQMNP-UHFFFAOYSA-N; BCP14768; BDBM50249180; ZINC40403513; AKOS030526950; QC-5875; CS-0991; SB16508; 5-((4-(6-Chlorothieno(2,3-d)pyrimidine-4-ylamino)piperidin-1-yl)methyl)-2-fluorobenzonitrile; PRX 08066;PRX08066; NCGC00386238-02; AK548029; HY-15472; Benzonitrile, 5-((4-((6-chlorothieno(2,3-d)pyrimidi

Indication

Disease Entry	ICD 11	Status	REF
Pulmonary arterial hypertension	BB01.0	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

401.9

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C19H17ClFN5S
IUPAC Name: 5-[[4-[(6-chlorothieno[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]methyl]-2-fluorobenzonitrile
Canonical SMILES: C1CN(CCC1NC2=C3C=C(SC3=NC=N2)Cl)CC4=CC(=C(C=C4)F)C#N
InChI: InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)
InChIKey: IENZFHBNCRQMNP-UHFFFAOYSA-N