Compound Detail

CHEMBL234282

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CCc1c(C)[nH]c(=O)c(Cl)c1Oc1cc(C)cc(C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL234282
Phase	Preclinical
Structure Type	MOL
InChI Key	TXASBXSTKVKYPN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

291.8

MW (Da)

4.31

ALogP

HBA

HBD

42.1

PSA (Å²)

0.92

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.2

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	IC50	8.2	7.36	6.3	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	IC50	=	6.3	nM	8.2	Antiviral activity against HIV1 LAI assessed as inhibition of viral-induced cyto...	17157017
Human immunodeficiency virus 1	IC50	=	19.9	nM	7.7	Antiviral activity against HIV1 with RT 103N mutant assessed as inhibition of vi...	17157017
Human immunodeficiency virus 1	IC50	=	31.6	nM	7.5	Antiviral activity against HIV1 RT 100I mutant assessed as inhibition of viral-i...	17157017
Human immunodeficiency virus 1	IC50	=	100.0	nM	7.0	Antiviral activity against HIV1 RT 181C mutant assessed as inhibition of viral-i...	17157017
Human immunodeficiency virus 1	IC50	=	398.0	nM	6.4	Antiviral activity against HIV1 RT 188L mutant assessed as inhibition of viral-i...	17157017

PubMed	DOI	Target Context	# Activities
17157017	10.1016/j.bmcl.2006.10.082	Human immunodeficiency virus 1	5
17157017	10.1016/j.bmcl.2006.10.082	Unchecked	1

Data from ChEMBL 36 via Core Engine