General Information of the Compound
Compound ID
CP0303771
Compound Name
2-Amino-N-{(R)-1-[(R)-1-formylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-1H-indol-3-yl-ethyl}-2-methyl-propionamide
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Synonyms
AEZS-130
ARD-07
ARD-0705
EP-01572
EP-1572
JMV-1843
Macimorelin
Solorel
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Structure
Formula
C26H30N6O3
Molecular Weight
474.565
Canonical SMILES
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]c2ccccc12)NC=O
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InChI
InChI=1S/C26H30N6O3/c1-26(2,27)25(35)31-22(11-16-13-28-20-9-5-3-7-18(16)20)24(34)32-23(30-15-33)12-17-14-29-21-10-6-4-8-19(17)21/h3-10,13-15,22-23,28-29H,11-12,27H2,1-2H3,(H,30,33)(H,31,35)(H,32,34)/t22-,23-/m1/s1
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InChIKey
UJVDJAPJQWZRFR-DHIUTWEWSA-N
CAS
381231-18-1
Physicochemical Property
logP
1.8448
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
144.9
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
4
Complexity
35

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 9804938
SID: 14761056
ChEMBL ID
CHEMBL278623
DrugBank ID
DB13074
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
IC50 = 123 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 22.9 nM
Clinical Information about the Compound
Drug 1 ( Macimorelin )
Drug Name Macimorelin
Company Aeterna Zentaris
Indication
Somatotropin deficiency
Approved
Growth hormone deficiency
Phase 3
Target(s)
Growth hormone secretagogue receptor 1 (GHSR)
Agonist