Compound Detail

CHEMBL137657

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Cc1c2c(nn1Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]1C=N2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL137657
Phase	Preclinical
Structure Type	MOL
InChI Key	MUHJGDSSLLLZIP-AWEZNQCLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

328.8

MW (Da)

3.21

ALogP

HBA

HBD

50.5

PSA (Å²)

0.85

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 6.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
L1210 CHEMBL386	IC50	6.8	6.4425	160.0	4
LoVo CHEMBL614721	IC50	4.96	4.695	11000.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
L1210	IC50	=	160.0	nM	6.8	Tested in vitro for inhibition after 48 hr exposure against murine leukemia cell...	7996544
L1210	IC50	=	270.0	nM	6.57	Tested in vitro for inhibition after 48 hr exposure against murine leukemia cell...	7996544
L1210	IC50	=	500.0	nM	6.3	Tested in vitro for inhibition after 48 hr exposure against murine leukemia cell...	7996544
L1210	IC50	=	800.0	nM	6.1	Tested in vitro for inhibition after 48 hr exposure against murine leukemia cell...	7996544
LoVo	IC50	=	11000.0	nM	4.96	Tested in vitro for inhibition after 144 hr against human colon carcinoma LoVo/D...	7996544
LoVo	IC50	=	37000.0	nM	4.43	Tested in vitro for inhibition after 144 hr exposure against human colon carcino...	7996544

PubMed	DOI	Target Context	# Activities
7996544	10.1021/jm00051a009	L1210	4
7996544	10.1021/jm00051a009	Unchecked	3
7996544	10.1021/jm00051a009	LoVo	2

Data from ChEMBL 36 via Core Engine