Compound Detail

CHEMBL57761

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CCNC(=O)Nc1nc2nc(NCCN(CC)CC)ncc2cc1-c1c(Cl)cccc1Cl

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL57761
Phase	Preclinical
Structure Type	MOL
InChI Key	OARIOETVQLMGFJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

476.4

MW (Da)

4.89

ALogP

HBA

HBD

95.1

PSA (Å²)

0.41

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 5.89

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Fibroblast growth factor receptor 1 CHEMBL3650	IC50	5.89	5.89	1300.0	1
Proto-oncogene tyrosine-protein kinase Src CHEMBL3655	IC50	5.58	5.58	2600.0	1
Platelet-derived growth factor receptor beta CHEMBL2749	IC50	4.92	4.92	12000.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Fibroblast growth factor receptor 1	IC50	=	1300.0	nM	5.89	Ability to prevent phosphorylation of human fibroblast growth factor receptor 1	11384237
Proto-oncogene tyrosine-protein kinase Src	IC50	=	2600.0	nM	5.58	Ability to prevent phosphorylation of avian c-Src TK	11384237
Platelet-derived growth factor receptor beta	IC50	=	12000.0	nM	4.92	Ability to prevent phosphorylation of isolated mouse PDGF receptor beta	11384237

PubMed	DOI	Target Context	# Activities
11384237	10.1021/jm0004291	Platelet-derived growth factor receptor beta	1
11384237	10.1021/jm0004291	Fibroblast growth factor receptor 1	1
11384237	10.1021/jm0004291	Proto-oncogene tyrosine-protein kinase Src	1

Data from ChEMBL 36 via Core Engine