Compound Detail

CHEMBL341137

Enter ChEMBL ID:

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

COC(=O)C(C)NP(=O)(OCC1C=CC(Cn2cc(C)c(=O)[nH]c2=O)O1)Oc1ccc(C#N)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL341137
Phase	Preclinical
Structure Type	MOL
InChI Key	HHBPSRRSUUZSQW-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

504.4

MW (Da)

1.40

ALogP

HBA

HBD

161.7

PSA (Å²)

0.27

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CCRF-CEM CHEMBL382	EC50	7.05	6.92	90.0	3
C3H/3T3 CHEMBL614372	EC50	4.52	4.52	30000.0	1

Parameter	Value	Units	Species
T1/2	100.0	hr	-
T1/2	151.0	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
CCRF-CEM	EC50	=	90.0	nM	7.05	In vitro effective compound concentration required to protect CEM/TK cells again...	9986709
CCRF-CEM	EC50	=	130.0	nM	6.89	In vitro eEffective compound concentration required to protect CEM/O cells again...	9986709
CCRF-CEM	EC50	=	150.0	nM	6.82	In vitro effective compound concentration required to protect CEM/O cells agains...	9986709
C3H/3T3	EC50	=	30000.0	nM	4.52	In vitro effective compound concentration required to protect against MSV-induce...	9986709

PubMed	DOI	Target Context	# Activities
9986709	10.1021/jm9803931	CCRF-CEM	4
9986709	10.1021/jm9803931	C3H/3T3	2
9986709	10.1021/jm9803931	ADMET	2
9986709	10.1021/jm9803931	No relevant target	1

Data from ChEMBL 36 via Core Engine