IBD Research Resource Center

BioID	bio200584
Name	PELABRESIB
ChEMBL ID	CHEMBL4303404
Molecular Formula	C20H16ClN3O2
Molecular Weight	365.82
Molecular Weight (Monoisotopic)	365.0931
Type	Small molecule
Max Phase	Phase 3
Target ID	Tar81
Target Name	None
Synonyms	CPI 0610\|CPI-0610\|CPI-0610 ANHYDROUS\|CPI-232\|CPI-267232\|PELABRESIB\|PELABRESIB ANHYDROUS\|PELABRESIB MONOHYDRATE
Smiles	Cc1noc2c1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(N)=O
Inchi	InChI=1S/C20H16ClN3O2/c1-11-18-14-4-2-3-5-15(14)19(12-6-8-13(21)9-7-12)23-16(10-17(22)25)20(18)26-24-11/h2-9,16H,10H2,1H3,(H2,22,25)/t16-/m0/s1
Inchi Key	GCWIQUVXWZWCLE-INIZCTEOSA-N
Molecular Species	NEUTRAL
Targets	19.0
Bioactivities	121.0
Np Likeness Score	-0.58
Records Key	['2; CPI-0610', '6; CPI-0610', 'CPI-0610', 'PELABRESIB', 'CPI-0610', 'CPI-0610', '24; CPI-0610', 'CPI-0610', 'CPI-0610', 'PELABRESIB', 'CPI-0610', 'CPI-0610', '10; CPI-0610']
Records Name	['(Z)-2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[e]isoxazolo[5,4-c]azepin-4-yl)acetamide', '2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide', 'CPI-0610', 'PELABRESIB', 'CPI-0610', 'CPI-0610', '2-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-isoxazolo[5,4-d][2]benzazepin-4-yl]acetamide', 'CPI-0610', 'CPI-0610', 'PELABRESIB', '(S)-2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide', '(S)-2-(6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide', '2-((4S)-6-(4-chlorophenyl)-1-methyl-4H-benzo[c]isoxazolo[4,5-e]azepin-4-yl)acetamide']
Withdrawn Flag	False
Orphan	0