Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D01233)
Name
Macimorelin
Synonyms    Click to Show/Hide the Synonyms of This API
Macimorelin; AEZS-130; ARD-07; EP-1572; 381231-18-1; UNII-8680B21W73; JMV 1843; JMV-1843; CHEMBL278623; JMV1843; Macrilen; 381231-18-1 (free base); EP1572; 8680B21W73; EP 1572; 2-amino-N-[(2R)-1-[[(1R)-1-formamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide; 2-amino-N-((R)-1-(((R)-1-formamido-2-(1H-indol-3-yl)ethyl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-methylpropanamide; Macimorelin [USAN:INN]; D-87575; Macimorelin (USAN); Aib-DTrp-DgTrp-CHO; EP-01572; AEZS130; GTPL9745; SCHEMBL1984708; UMV1843; 945212-59-9 (acetate salt); BDBM50125886; DB13074; EP01572; SB16909; D10563; Aminoisobutyryl-tryptophyl-tryptophanamine-formyl; Q15624037; 2-Amino-N-{(R)-1-[(R)-1-formylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-1H-indol-3-yl-ethyl}-2-methyl-propionamide
Clinical Status
Approved
PubChem CID
9804938
Formula
C26H30N6O3
Canonical SMILES
CC(C)(C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)NC=O)N
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
InChIKey
UJVDJAPJQWZRFR-DHIUTWEWSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=9804938"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 474.6 Topological Polar Surface Area 145
XlogP 1.8 Complexity 761
Heavy Atom Count 35 Rotatable Bond Count 9
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 4
Full List of Drug Formulations (DFMs) Containing This API
          Macimorelin 60 mg solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Lactose Monohydrate; Crospovidone; Sodium Stearyl Fumarate; Saccharin Sodium; Colloidal Silicon Dioxide
                   Dosage Form Solution
                   Company Aeterna Zentaris Gmbh
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Saccharin sodium anhydrous DIG Info Carbonic anhydrase I (Ki = 18540 nM) [1]
Sodium stearyl fumarate DIG Info Leukemia K562 cells (IC50 = 20.2 ug.mL-1) [2]
Crospovidone DIG Info Albendazole monooxygenase (Protein expression downregulation) [3]
References
1 Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15; 17(14):5054-8.
2 Synthesis and evaluation of (-)-Massoialactone and analogues as potential anticancer and anti-inflammatory agents. Eur J Med Chem. 2014 Apr 9; 76:291-300.
3 Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

If you find any error in data or bug in web service, please kindly report it to Dr. Zhang and Dr. Mou.