FASITIBANT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 0WL827Z7AE

Structure
InChI Key FQVSDHOWSLEEKJ-LJAQVGFWSA-N
Smile Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCC[N+](C)(C)C)CC5)CCOCC4)c3Cl)c2n1
InChI
InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H49Cl2N6O6S+
Molecular Weight 764.8
AlogP 4.05
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 144.16
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 51.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Bradykinin receptor
- - 0-0 0-0 52-96

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 2 D010003 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL218427
DrugBank DB15646
EPA CompTox DTXSID30236032
FDA SRS 0WL827Z7AE
PubChem 11498853
SureChEMBL SCHEMBL2641709
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