Compound Detail

CHEMBL5899341

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CC(C)n1nc(-c2cc3cccnc3[nH]2)c2c(N)ncc(Cl)c21

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5899341
Phase	Preclinical
Structure Type	MOL
InChI Key	SYBRDWADIVSRRM-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

326.8

MW (Da)

3.79

ALogP

HBA

HBD

85.4

PSA (Å²)

0.59

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 8.59

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	8.59	7.395	2.6	4
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	6.33	6.33	466.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	2.6	nM	8.59	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	2.6	nM	8.59	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-
Vascular endothelial growth factor receptor 2	IC50	=	466.0	nM	6.33	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Vascular endothelial growth factor receptor 2	IC50	=	466.0	nM	6.33	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	627.0	nM	6.2	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	627.0	nM	6.2	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-

Data from ChEMBL 36 via Core Engine