Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: 578H0RMP25

Structure

InChI Key TUOSYWCFRFNJBS-BHVANESWSA-N
Smile CN(Cc1ccccc1)C(=O)[C@@H](NC(=O)c1cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc2n1C)c1ccccc1
InChI
InChI=1S/C40H33F3N4O3/c1-46(25-26-11-5-3-6-12-26)39(50)36(28-13-7-4-8-14-28)45-38(49)35-24-29-23-31(21-22-34(29)47(35)2)44-37(48)33-16-10-9-15-32(33)27-17-19-30(20-18-27)40(41,42)43/h3-24,36H,25H2,1-2H3,(H,44,48)(H,45,49)/t36-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C40H33F3N4O3
Molecular Weight 674.72
AlogP 8.25
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 83.44
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 50.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Other cytosolic protein
- 0-3 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obesity 1 D009765 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL410414
DrugBank DB11399
EPA CompTox DTXSID00897432
FDA SRS 578H0RMP25
SureChEMBL SCHEMBL37781
ZINC ZINC000003988502