Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: ISL723GVQ8

Structure

InChI Key YDTUJCNTIMWHPJ-NRFANRHFSA-N
Smile COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OC[C@H](OP(=O)(O)O)C1CC1
InChI
InChI=1S/C24H22ClN2O7PS/c1-32-20-10-17(8-9-19(20)33-12-21(14-2-3-14)34-35(29,30)31)27-13-26-18-11-22(36-23(18)24(27)28)15-4-6-16(25)7-5-15/h4-11,13-14,21H,2-3,12H2,1H3,(H2,29,30,31)/t21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H22ClN2O7PS
Molecular Weight 548.94
AlogP 5.04
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 120.11
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 36.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 1 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1197420-06-6
ChEMBL CHEMBL2147475
DrugBank DB14787
FDA SRS ISL723GVQ8
PubChem 44539266
SureChEMBL SCHEMBL2278190