Compound Detail

CHEMBL284241

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

Cc1cccc(Cc2nc(SC3CCCCC3)nc(O)c2C)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL284241
Phase	Preclinical
Structure Type	MOL
InChI Key	FAIQNYLRNIRKSX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.5

MW (Da)

4.81

ALogP

HBA

HBD

46.0

PSA (Å²)

0.82

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 2 meas. best 6.22

IC50 2 meas. best 6.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MT4 CHEMBL388	EC50	6.22	6.22	600.0	2
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.05	5.97	900.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MT4	EC50	=	600.0	nM	6.22	Dose required to achieve 50% protection of MT-4 cells from HIV-1 induced cytopat...	7650679
MT4	EC50	=	600.0	nM	6.22	Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cyt...	9154967
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	900.0	nM	6.05	Compound concentration required to inhibit the HIV-1 recombinant Reverse transcr...	9154967
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1300.0	nM	5.89	Dose required to inhibit HIV-1 recombinant reverse transcriptase (rRT) activity ...	7650679

PubMed	DOI	Target Context	# Activities
9154967	10.1021/jm960802y	MT4	4
7650679	10.1021/jm00017a010	MT4	3
7650679	10.1021/jm00017a010	Human immunodeficiency virus type 1 reverse transcriptase	1
9154967	10.1021/jm960802y	Glutathione S-transferase Mu 1	1
9154967	10.1021/jm960802y	Human immunodeficiency virus type 1 reverse transcriptase	1
9154967	10.1021/jm960802y	C8166	1
9154967	10.1021/jm960802y	H9	1

Data from ChEMBL 36 via Core Engine