Details of the Drug

General Information of Drug (ID: DML6EWH)

Drug Name
Posatirelin
Synonyms Esotirelin; Pyladox; RGH-2202
Indication
Disease Entry ICD 11 Status REF
Neurodegenerative disorder 8A20-8A23 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 352.4
Logarithm of the Partition Coefficient (xlogp) -0.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C17H28N4O4
IUPAC Name
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-6-oxopiperidine-2-carboxamide
Canonical SMILES
CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C@@H]2CCCC(=O)N2
InChI
InChI=1S/C17H28N4O4/c1-10(2)9-12(17(25)21-8-4-6-13(21)15(18)23)20-16(24)11-5-3-7-14(22)19-11/h10-13H,3-9H2,1-2H3,(H2,18,23)(H,19,22)(H,20,24)/t11-,12-,13-/m0/s1
InChIKey
DPNGIIPSQYKWQA-AVGNSLFASA-N
Cross-matching ID
PubChem CID
71230
ChEBI ID
CHEBI:135486
CAS Number
78664-73-0
TTD ID
D0J8RM

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 Neurodegenerative disorder
ICD Disease Classification 8A20-8A23
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 800005568)
2 TRH analogs at Gedeon Richter Ltd.: highlights of experimental and clinical efficacy of posatirelin. Acta Pharm Hung. 2002;72(1):62-8.