Compound Detail

CHEMBL3932024

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Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCc1cnc[nH]1)c1nnc(C)n1-2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3932024
Phase	Preclinical
Structure Type	MOL
InChI Key	NZVQMVZSBBXNPN-IBGZPJMESA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

494.0

MW (Da)

4.27

ALogP

HBA

HBD

100.8

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 9.37

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Bromodomain-containing protein 4 CHEMBL1163125	IC50	9.37	9.015	0.4	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Bromodomain-containing protein 4	IC50	=	0.427	nM	9.37	Alpha Assay: BRD4(2): Assays were performed as described previously with minor m...	-
Bromodomain-containing protein 4	IC50	=	0.427	nM	9.37	Binding Assay: All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, ...	-
Bromodomain-containing protein 4	IC50	=	0.427	nM	9.37	Alpha-assay: The binding activity of lead compounds with the BRD4 site 2 was det...	-
Bromodomain-containing protein 4	IC50	=	2.189	nM	8.66	Alpha Assay: BRD4(1): Assays were performed as described previously with minor m...	-
Bromodomain-containing protein 4	IC50	=	2.19	nM	8.66	Binding Assay: All reagents were diluted in 50 mM HEPES, 100 mM NaCl, 0.1% BSA, ...	-
Bromodomain-containing protein 4	IC50	=	2.19	nM	8.66	Alpha-assay: The binding activity of lead compounds with the BRD4 site 1 was det...	-

Data from ChEMBL 36 via Core Engine