Structure

InChI Key SFVLTCAESLKEHH-WKAQUBQDSA-N
Smile Cc1cc(O)cc(C)c1C[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI
InChI=1S/C32H49N9O5/c1-19-15-22(42)16-20(2)23(19)18-27(41-29(44)24(34)11-8-14-38-32(36)37)31(46)39-25(12-6-7-13-33)30(45)40-26(28(35)43)17-21-9-4-3-5-10-21/h3-5,9-10,15-16,24-27,42H,6-8,11-14,17-18,33-34H2,1-2H3,(H2,35,43)(H,39,46)(H,40,45)(H,41,44)(H4,36,37,38)/t24-,25+,26+,27+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H49N9O5
Molecular Weight 639.8
AlogP -0.55
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 10.0
Number of Rotational Bond 19.0
Polar Surface Area 264.56
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 46.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Mitochondrial Myopathies 3 D017240 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Barth Syndrome 2 D056889 ClinicalTrials
Mitochondrial Diseases 2 D028361 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Optic Atrophy, Hereditary, Leber 2 D029242 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Macular Degeneration 1 D008268 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 736992-21-5
ChEMBL CHEMBL3833370
DrugBank DB11981
EPA CompTox DTXSID50471988
FDA SRS 87GWG91S09
PubChem 11764719
SureChEMBL SCHEMBL15028020
ZINC ZINC000043130902