TABIMORELIN

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII L51CBE03KF

Structure

InChI Key WURGZWOTGMLDJP-ZCYANPAGSA-N
Smiles CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N
InChI
InChI=1S/C32H40N4O3/c1-32(2,33)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)34-3)21-23-12-7-6-8-13-23/h6-18,20,27-28H,19,21-22,33H2,1-5H3,(H,34,38)/b16-11+/t27-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H40N4O3
Molecular Weight 528.7
AlogP 3.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 95.74
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 39.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 3A4 inhibitor INHIBITOR PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) GRP-related receptor
3-18 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
3-3.02 - - - -
Rattus norvegicus
2.7 - - - -

Target Conservation

Protein: Cytochrome P450 3A4
Description: Cytochrome P450 3A4
Organism : Homo sapiens
P08684 ENSG00000160868
Protein: Ghrelin receptor
Description: Growth hormone secretagogue receptor type 1
Organism : Homo sapiens
Q92847 ENSG00000121853

Cross References

Resources Reference
ChEMBL CHEMBL281764
FDA SRS L51CBE03KF
PubChem 9810101
SureChEMBL SCHEMBL209441
ZINC ZINC000003952532
CONTENTS