5-[1,3]Dithian-2-ylidene-9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene

InChIKey	`NTCBYBDADUSXSB-UHFFFAOYSA-N`
Compound Name	5-[1,3]Dithian-2-ylidene-9-fluoro-2,2,4-trimethyl-2,5-dihydro-1H-6-oxa-1-aza-chrysene
Canonical SMILES	`CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3`
Clinical Status	Clinical Multi-Target
Targets (Human+Pathogen)	9
Pfam Stratification	Cross-Family
Avg pChEMBL	6.55
Source	ChEMBL;TTD_MultiTarget

2D Structure

Activity Profile

Target	Gene	Organism	Category	Pfam	pChEMBL	Type	Source
P06401	PGR	Homo sapiens	Human	PF00104 PF02161 PF00105	8.2	Ki	ChEMBL
P04150	NR3C1	Homo sapiens	Human	PF02155 PF00104 PF00105	6.8	IC50	ChEMBL
P10275	AR	Homo sapiens	Human	PF02166 PF00104 PF00105	6.8	IC50	ChEMBL
P03372	ESR1	Homo sapiens	Human	PF12743 PF00104 PF02159 PF00105	6.2	IC50	ChEMBL
P18505	GABRB1	Homo sapiens	Human	PF02931 PF02932	6.2	pIC50	TTD_MultiTarget
Q5VT25	CDC42BPA	Homo sapiens	Human	PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 PF00433	6.2	pIC50	TTD_MultiTarget
Q92731	ESR2	Homo sapiens	Human	PF12497 PF00104 PF00105	6.2	IC50	ChEMBL
P08235	NR3C2	Homo sapiens	Human	PF00104 PF00105	6.2	IC50	ChEMBL
Q96WX4	erg6	Pneumocystis carinii (strain B80)	Pathogen	PF08241 PF08498	6.2	pIC50	TTD_MultiTarget