Compound Detail

CHEMBL233663

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

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL233663
Phase	Preclinical
Structure Type	MOL
InChI Key	NBIUUJPIWYKGFP-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

325.3

MW (Da)

4.67

ALogP

HBA

HBD

42.1

PSA (Å²)

0.89

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 8.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	IC50	8.51	7.582	3.1	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	IC50	=	3.1	nM	8.51	Antiviral activity against HIV1 LAI assessed as inhibition of viral-induced cyto...	17157017
Human immunodeficiency virus 1	IC50	=	12.5	nM	7.9	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	=	50.1	nM	7.3	Antiviral activity against HIV1 RT 181C mutant assessed as inhibition of viral-i...	17157017
Human immunodeficiency virus 1	IC50	=	199.0	nM	6.7	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