Compound Detail

CHEMBL5398829

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CC(=O)N1CCN(c2cc(-c3ccccc3O)nnc2N)[C@@H](C)C1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5398829
Phase	Preclinical
Structure Type	MOL
InChI Key	KZRXTHZVIAAZAP-NSHDSACASA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

327.4

MW (Da)

1.49

ALogP

HBA

HBD

95.6

PSA (Å²)

0.87

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

Kd 4 meas. best 7.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Transcription activator BRG1 CHEMBL3085620	Kd	7.96	7.96	11.0	1
Probable global transcription activator SNF2L2 CHEMBL2362979	Kd	7.7	7.7	20.0	1
Protein polybromo-1 CHEMBL1795184	Kd	7.54	7.295	29.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Transcription activator BRG1	Kd	=	11.0	nM	7.96	Binding affinity to SMARCA4 (unknown origin) assessed as dissociation constant b...	37702400
Probable global transcription activator SNF2L2	Kd	=	20.0	nM	7.7	Binding affinity to SMARCA2 (unknown origin) assessed as dissociation constant b...	37702400
Protein polybromo-1	Kd	=	29.0	nM	7.54	Binding affinity to PBRM1 bromodomain 5 (unknown origin) assessed as dissociatio...	37702400
Protein polybromo-1	Kd	=	90.0	nM	7.05	Binding affinity to PBRM1 bromodomain 2 (unknown origin) assessed as dissociatio...	37702400

PubMed	DOI	Target Context	# Activities
37702400	10.1021/acs.jmedchem.3c01149	Protein polybromo-1	2
37702400	10.1021/acs.jmedchem.3c01149	Probable global transcription activator SNF2L2	1
37702400	10.1021/acs.jmedchem.3c01149	Transcription activator BRG1	1

Data from ChEMBL 36 via Core Engine