Details of the Drug

General Information of Drug (ID: DM29C6S)

Drug Name
JTP-2942
Synonyms
Jtp-2942; Jtp 2942; AC1L2RRV; 148152-77-6; SCHEMBL194880; N(alpha)-(2-Methyl-4-oxocyclopentanecarbonyl)-L-histidyl-L-prolinamide; L-Prolinamide, N-((2-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-; L-Prolinamide, N-((-methyl-4-oxocyclopentyl)carbonyl)-L-histidyl-, (1S-cis)-
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 375.4
Logarithm of the Partition Coefficient (xlogp) -1.7
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H25N5O4
IUPAC Name
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(1S,2R)-2-methyl-4-oxocyclopentanecarbonyl]amino]propanoyl]pyrrolidine-2-carboxamide
Canonical SMILES
C[C@@H]1CC(=O)C[C@@H]1C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N
InChI
InChI=1S/C18H25N5O4/c1-10-5-12(24)7-13(10)17(26)22-14(6-11-8-20-9-21-11)18(27)23-4-2-3-15(23)16(19)25/h8-10,13-15H,2-7H2,1H3,(H2,19,25)(H,20,21)(H,22,26)/t10-,13+,14+,15+/m1/s1
InChIKey
MVRLGJKFVUDFCR-KJEVXHAQSA-N
Cross-matching ID
PubChem CID
127299
CAS Number
148152-77-6
TTD ID
D03BHO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thyrotropin-releasing hormone receptor (TRHR) TT4J8MF TRFR_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cognitive impairment
ICD Disease Classification 6D71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thyrotropin-releasing hormone receptor (TRHR) DTT TRHR 2.98E-01 0.11 0.61
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002435)
2 Effect of JTP-2942, a novel thyrotropin-releasing hormone analogue, on pentobarbital-induced anesthesia in rats. Eur J Pharmacol. 1995 Mar 24;276(1-2):177-82.