Details of the Drug

General Information of Drug (ID: DMR0K85)

Drug Name
RX-77368
Synonyms TRH analog, Reckitt & Colman
Indication
Disease Entry ICD 11 Status REF
Dementia 6D80-6D86 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 390.4
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H26N6O4
IUPAC Name
(2S)-1-[(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoyl]-3,3-dimethylpyrrolidine-2-carboxamide
Canonical SMILES
CC1(CCN([C@@H]1C(=O)N)C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H]3CCC(=O)N3)C
InChI
InChI=1S/C18H26N6O4/c1-18(2)5-6-24(14(18)15(19)26)17(28)12(7-10-8-20-9-21-10)23-16(27)11-3-4-13(25)22-11/h8-9,11-12,14H,3-7H2,1-2H3,(H2,19,26)(H,20,21)(H,22,25)(H,23,27)/t11-,12-,14+/m0/s1
InChIKey
ZEQAPQNFHVYDEL-SGMGOOAPSA-N
Cross-matching ID
PubChem CID
107823
CAS Number
76820-40-1
TTD ID
D01JOJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thyrotropin-releasing hormone (TRH) TT2Z39D TRH_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 Dementia
ICD Disease Classification 6D80-6D86
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thyrotropin-releasing hormone (TRH) DTT TRH 2.52E-01 0.09 0.49
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 800001316)
2 Intracisternal urocortin inhibits vagally stimulated gastric motility in rats: role of CRF(2).Br J Pharmacol.2002 May;136(2):237-47.