General Information of Drug (ID: DM6HXTS)

Drug Name
Anamorelin
Synonyms
249921-19-5; UNII-DD5RBA1NKF; DD5RBA1NKF; RC 1291; Anamorelin [INN]; ONO-7643; SCHEMBL935751; CHEMBL2110579; EX-A154; DTXSID20179702; C31H42N6O3; BCP06108; 3444AH; ZINC43130908; AKOS030526752; SB16911; API0008642; RC-1291; NCGC00378854-01; KB-80338; HY-14734; BC600755; (3R)-1-(2-Methylalanyl-D-tryptophyl)-3-(phenylmethyl)-3-piperidinecarboxylic acid 1,2,2-trimethylhydrazide; AB0165721; FT-0773543; W-5500; 921A195; CS 1036
Indication
Disease Entry ICD 11 Status REF
Carbohydrate metabolism disorder 5C51.Z Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 546.7
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C31H42N6O3
IUPAC Name
2-amino-N-[(2R)-1-[(3R)-3-benzyl-3-[dimethylamino(methyl)carbamoyl]piperidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
Canonical SMILES
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N3CCC[C@](C3)(CC4=CC=CC=C4)C(=O)N(C)N(C)C)N
InChI
InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1
InChIKey
VQPFSIRUEPQQPP-MXBOTTGLSA-N
Cross-matching ID
PubChem CID
9828911
CAS Number
249921-19-5
DrugBank ID
DB06645
TTD ID
D03WAU
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Alpha-glucosidase (GLA) TTHCF4J LYAG_HUMAN ; GANAB_HUMAN ; GANC_HUMAN Modulator [2]
Growth hormone secretagogue receptor 1 (GHSR) TTWDC17 GHSR_HUMAN Stimulator [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Carbohydrate metabolism disorder
ICD Disease Classification 5C51.Z
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 ClinicalTrials.gov (NCT01395914) Anamorelin HCl in the Treatment of Non-Small Cell Lung Cancer-Cachexia (NSCLC-C): An Extension Study (ROMANA 3). U.S. National Institutes of Health.
2 Absorption, elimination, and metabolism of CS-1036, a novel -amylase inhibitor in rats and monkeys, and the relationship between gastrointestinal distribution and suppression of glucose absorption.Drug Metab Dispos.2013 Apr;41(4):878-87.
3 Pharmacodynamic hormonal effects of anamorelin, a novel oral ghrelin mimetic and growth hormone secretagogue in healthy volunteers. Growth Horm IGF Res. 2009 Jun;19(3):267-73.