IBD Research Resource Center

BioID	bio200450
Name	THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)-
ChEMBL ID	CHEMBL398891
Molecular Formula	C16H16BrClFN3OS
Molecular Weight	432.75
Molecular Weight (Monoisotopic)	430.987
Type	Small molecule
Max Phase	Phase 2
Target ID	Tar81
Target Name	None
Synonyms	PT-112\|Thiourea, N-(5-bromo-2-pyridinyl)-N'-(2-(2-chloro-3-ethoxy-6-fluorophenyl)ethyl)-
Smiles	CCOc1ccc(F)c(CCNC(=S)Nc2ccc(Br)cn2)c1Cl
Inchi	InChI=1S/C16H16BrClFN3OS/c1-2-23-13-5-4-12(19)11(15(13)18)7-8-20-16(24)22-14-6-3-10(17)9-21-14/h3-6,9H,2,7-8H2,1H3,(H2,20,21,22,24)
Inchi Key	DTHZUSMREBJMBT-UHFFFAOYSA-N
Molecular Species	NEUTRAL
Targets	3.0
Bioactivities	11.0
Np Likeness Score	-2.06
Records Key	['PT112', '10', '55', '9', '55', THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)-"]"
Records Name	['1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)-ethyl]-thiourea', '1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)-ethyl]-thiourea', '1-(2-chloro-3-ethoxy-6-fluorophenethyl)-3-(5-bromopyridin-2-yl)thiourea', '1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-3-ethoxy-6-fluoro-phenyl)-ethyl]-thiourea', '1-(5-bromopyridin-2-yl)-3-(2-chloro-3-ethoxy-6-fluorophenethyl)thiourea', THIOUREA, N-(5-BROMO-2-PYRIDINYL)-N'-(2-(2-CHLORO-3-ETHOXY-6-FLUOROPHENYL)ETHYL)-"]"
Withdrawn Flag	False
Orphan	0