Compound Detail

CHEMBL6056240

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Nc1ncnc2c1c(-c1[nH]c3ncccc3c1Cl)nn2C1CCC(NC(=O)C2CC2)CC1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6056240
Phase	Preclinical
Structure Type	MOL
InChI Key	QFOYXEGQTWGLCJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

450.9

MW (Da)

3.62

ALogP

HBA

HBD

127.4

PSA (Å²)

0.44

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 8.7

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	8.7	8.1	2.0	4
Vascular endothelial growth factor receptor 2 CHEMBL279	IC50	4.94	4.94	11400.0	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	2.0	nM	8.7	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	2.0	nM	8.7	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	31.9	nM	7.5	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	31.9	nM	7.5	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-
Vascular endothelial growth factor receptor 2	IC50	=	11400.0	nM	4.94	Time-Resolved Fluorescence Transfer (FRET) Assay: RET and KDR: Kinase activity w...	-
Vascular endothelial growth factor receptor 2	IC50	=	11400.0	nM	4.94	RET and KDR Enzyme Assay: Kinase activity was detected using CisBio HTRF kinEASE...	-

Data from ChEMBL 36 via Core Engine