Structure

InChI Key AQDWDWAYVBQMAM-UHFFFAOYSA-N
Smile CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5cncc(-c6cccc(F)c6)c5[nH]4)c3c2)c1
InChI
InChI=1S/C29H24FN7O/c1-16(2)8-26(38)33-21-10-19(12-31-13-21)17-6-7-24-22(11-17)28(37-36-24)29-34-25-15-32-14-23(27(25)35-29)18-4-3-5-20(30)9-18/h3-7,9-16H,8H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H24FN7O
Molecular Weight 505.56
AlogP 6.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 112.24
Molecular species NEUTRAL
Aromatic Rings 6.0
Heavy Atoms 38.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 3 D010003 ClinicalTrials
Osteoarthritis, Knee 3 D020370 ClinicalTrials
Intervertebral Disc Degeneration 1 D055959 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1467093-03-3
ChEMBL CHEMBL4297639
DrugBank DB14883
FDA SRS 42EK42WHI5
Guide to Pharmacology 9620
PubChem 135565709
SureChEMBL SCHEMBL15302155