Details of the Drug

General Information of Drug (ID: DMNPJL3)

Drug Name
LY-444711
Synonyms 2(R)-(2-Amino-2-methylpropanamido)-N-[1-[1(R)-(4-methoxyphenyl)-1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-imidazol-4-yl]-5-phenylpentanamide dihydrochloride
Indication
Disease Entry ICD 11 Status REF
Growth hormone deficiency 5A61.3 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 574.7
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 12
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C32H42N6O4
IUPAC Name
(2R)-2-[(2-amino-2-methylpropanoyl)amino]-N-[1-[(2R)-2-(4-methoxyphenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]imidazol-4-yl]-5-phenylpentanamide
Canonical SMILES
C[C@@](C1=CC=C(C=C1)OC)(C(=O)N2CCCC2)N3C=C(N=C3)NC(=O)[C@@H](CCCC4=CC=CC=C4)NC(=O)C(C)(C)N
InChI
InChI=1S/C32H42N6O4/c1-31(2,33)29(40)35-26(14-10-13-23-11-6-5-7-12-23)28(39)36-27-21-38(22-34-27)32(3,30(41)37-19-8-9-20-37)24-15-17-25(42-4)18-16-24/h5-7,11-12,15-18,21-22,26H,8-10,13-14,19-20,33H2,1-4H3,(H,35,40)(H,36,39)/t26-,32-/m1/s1
InChIKey
MJUQKUGRKDKGBY-HVIPQOSHSA-N
Cross-matching ID
PubChem CID
9872936
TTD ID
D0LR1M

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Growth hormone secretagogue receptor 1 (GHSR) TTWDC17 GHSR_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Growth hormone deficiency
ICD Disease Classification 5A61.3
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Growth hormone secretagogue receptor 1 (GHSR) DTT GHSR 4.56E-01 -0.14 -0.74
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 800012573)
2 Synthesis and biological evaluation of an orally active ghrelin agonist that stimulates food consumption and adiposity in rats. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5873-6.