Details of the Drug

General Information of Drug (ID: DMM8IAQ)

Drug Name
PNU-142731A
Synonyms 9-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]-2,4-bis(pyrrolidin-1-yl)-9H-pyrimido[4,5-b]indole hydrochloride
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 455
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C24H31ClN6O
IUPAC Name
2-(2,4-dipyrrolidin-1-ylpyrimido[4,5-b]indol-9-yl)-1-pyrrolidin-1-ylethanone;hydrochloride
Canonical SMILES
C1CCN(C1)C2=NC(=NC3=C2C4=CC=CC=C4N3CC(=O)N5CCCC5)N6CCCC6.Cl
InChI
InChI=1S/C24H30N6O.ClH/c31-20(27-11-3-4-12-27)17-30-19-10-2-1-9-18(19)21-22(28-13-5-6-14-28)25-24(26-23(21)30)29-15-7-8-16-29;/h1-2,9-10H,3-8,11-17H2;1H
InChIKey
RLFYAIUQWFELJD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9846800
CAS Number
214212-38-1
TTD ID
D0Q9IY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Eosinophil/lymphocyte-rich accumulation (ELR accum) TT26HJ8 NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of pubfacts.
2 Preclinical evaluation of anti-inflammatory activities of the novel pyrrolopyrimidine PNU-142731A, a potential treatment for asthma. J Pharmacol Exp Ther. 1999 Jul;290(1):188-95.