DERSIMELAGON

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1CWH5SV4G2

Structure
InChI Key MUNWOYRHJPWQNE-GMFUQMJFSA-N
Smile COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1
InChI
InChI=1S/C36H45F4N3O5/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45)/t25-,30+,31+,35+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H45F4N3O5
Molecular Weight 675.76
AlogP 5.95
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 82.55
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 48.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Scleroderma, Diffuse 2 D045743 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4802160
FDA SRS 1CWH5SV4G2
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