CAPROMORELIN

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Synonyms
Status
Molecule Category Free-form
UNII 0MQ44VUN84
EPA CompTox DTXSID5057886

Structure

InChI Key KVLLHLWBPNCVNR-SKCUWOTOSA-N
Smiles CN1N=C2CCN(C(=O)[C@@H](COCc3ccccc3)NC(=O)C(C)(C)N)C[C@@]2(Cc2ccccc2)C1=O
InChI
InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H35N5O4
Molecular Weight 505.62
AlogP 1.71
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 117.33
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
Ghrelin receptor agonist AGONIST PubMed PubMed PubMed
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
0.9-3 19.95-22 - 7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.9-0.912 19.95-22 - - -
Rattus norvegicus
3-3 - - - -

Target Conservation

Protein: Ghrelin receptor
Description: Growth hormone secretagogue receptor type 1
Organism : Homo sapiens
Q92847 ENSG00000121853

Cross References

Resources Reference
ChEMBL CHEMBL113313
DrugBank DB15205
FDA SRS 0MQ44VUN84
SureChEMBL SCHEMBL1147592
ZINC ZINC000004393135
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