IBD Research Resource Center

BioID	bio3115
Name	ULIPRISTAL ACETATE
ChEMBL ID	CHEMBL260538
Molecular Formula	C30H37NO4
Molecular Weight	475.63
Molecular Weight (Monoisotopic)	475.2723
Type	Small molecule
Max Phase	Phase 4
Target ID	Tar12
Target Name	Toll-like receptor 9 (TLR9)
Synonyms	CDB-2914\|ELLA\|Esmya\|PGL-4001\|RTI-3021-012\|ULIPRISTAL ACET\|ULIPRISTAL ACETATE\|ULIPRISTAL ACETATE \|Ulipristal acetate\|VA-2914\|VA2914\|ellaOne
Smiles	CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
Inchi	InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1
Inchi Key	OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Molecular Species	NEUTRAL
Targets	28.0
Bioactivities	38.0
Np Likeness Score	1.19
Records Key	['ULIPRISTAL ACETATE', '2, CBD-2914', 'ULIPRISTAL ACETATE', 'ULIPRISTAL ACETATE', 'Ulipristal acetate', 'ULIPRISTAL ACETATE', 'ULIPRISTAL ACETATE', 'Ulipristal acetate', 'Ulipristal acetate', 'ULIPRISTAL ACETATE', 'ulipristal', 'ULIPRISTAL ACETATE']
Records Name	['ULIPRISTAL ACETATE', 'uliprisnil acetate', 'ULIPRISTAL ACETATE', 'ULIPRISTAL ACETATE', 'Ulipristal acetate', 'ULIPRISTAL ACETATE', 'ULIPRISTAL ACETATE', 'Ulipristal acetate', 'Ulipristal acetate', 'ULIPRISTAL ACETATE', 'ulipristal', 'ULIPRISTAL ACETATE']
Withdrawn Flag	True
Orphan	0