Compound Detail

CHEMBL2326041

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Cc1c(C(=O)N[C@H]2C[C@@](C)(O)C2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)n1C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2326041
Phase	Preclinical
Structure Type	MOL
InChI Key	MIOKLFHSILIHBT-IGNRCVAYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

991.7

MW (Da)

9.52

ALogP

HBA

HBD

165.3

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.12

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Apoptosis regulator Bcl-2 CHEMBL4860	IC50	8.12	8.12	7.5	1
NON-PROTEIN TARGET CHEMBL3879801	IC50	7.92	7.92	12.0	1
Bcl-2-like protein 1 CHEMBL4625	IC50	7.82	7.82	15.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Apoptosis regulator Bcl-2	IC50	=	7.5	nM	8.12	Binding affinity to BCL2 (unknown origin) after 2 hrs by fluorescence polarizati...	23448298
NON-PROTEIN TARGET	IC50	=	12.0	nM	7.92	Cytotoxicity against human NCI-H146 cells assessed as growth inhibition after 4 ...	23448298
Bcl-2-like protein 1	IC50	=	15.0	nM	7.82	Binding affinity to BCL-XL (unknown origin) after 2 hrs by fluorescence polariza...	23448298

PubMed	DOI	Target Context	# Activities
23448298	10.1021/jm4001105	NON-PROTEIN TARGET	1
23448298	10.1021/jm4001105	Bcl-2-like protein 1	1
23448298	10.1021/jm4001105	Apoptosis regulator Bcl-2	1

Data from ChEMBL 36 via Core Engine