CP-461

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 68OJX9I7DT

Structure
InChI Key NVCAMOJXQVJSOM-XKZIYDEJSA-N
Smile CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2/C1=C\c1ccncc1
InChI
InChI=1S/C25H21FN2O/c1-17-22(13-18-9-11-27-12-10-18)21-8-7-20(26)14-24(21)23(17)15-25(29)28-16-19-5-3-2-4-6-19/h2-14H,15-16H2,1H3,(H,28,29)/b22-13-

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H22ClFN2O
Molecular Weight 420.92
AlogP 5.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 41.99
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Lymphocytic, Chronic, B-Cell 2 D015451 ClinicalTrials
Crohn Disease 2 D003424 ClinicalTrials
Carcinoma, Renal Cell 2 D002292 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4243974
FDA SRS 68OJX9I7DT
PubChem 6445781
SureChEMBL SCHEMBL1963555
ChEMBL CHEMBL4068108
FDA SRS 824ZMS3BGL
PubChem 6445781
SureChEMBL SCHEMBL6051989
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