Compound Detail

CHEMBL1976512

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C=CC(=O)N1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1976512
Phase	Preclinical
Structure Type	MOL
InChI Key	KIJSWTZBZRWQNK-YHARCJFQSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

415.5

MW (Da)

3.88

ALogP

HBA

HBD

43.9

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.55

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
CCRF-CEM CHEMBL382	IC50	6.55	6.55	280.0	1
L1210 CHEMBL386	IC50	6.55	6.55	280.0	1
P388 CHEMBL389	IC50	6.55	6.55	280.0	1
Unchecked CHEMBL612545	IC50	6.55	6.55	280.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
P388	IC50	=	280.0	nM	6.55	Antiproliferative activity against mouse P388 cells assessed as cell growth inhi...	32172081
L1210	IC50	=	280.0	nM	6.55	Antiproliferative activity against mouse L1210 cells assessed as cell growth inh...	32172081
Unchecked	IC50	=	280.0	nM	6.55	Antiproliferative activity against human Molt 4/C8 cells assessed as cell growth...	32172081
CCRF-CEM	IC50	=	280.0	nM	6.55	Antiproliferative activity against human CEM cells assessed as cell growth inhib...	32172081

PubMed	DOI	Target Context	# Activities
32172081	10.1016/j.ejmech.2020.112177	P388	1
32172081	10.1016/j.ejmech.2020.112177	L1210	1
32172081	10.1016/j.ejmech.2020.112177	Unchecked	1
32172081	10.1016/j.ejmech.2020.112177	CCRF-CEM	1

Data from ChEMBL 36 via Core Engine