Compound Detail

CHEMBL6030779

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CCOc1cc(-c2ccc(N3CC4CC(C3)N4C(=O)[C@@H](c3cccc(Cl)c3)N(C)C)nc2)c2c(C#N)cnn2c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL6030779
Phase	Preclinical
Structure Type	MOL
InChI Key	XWZFATVRYIQRIY-UMVVBEGXSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

556.1

MW (Da)

4.41

ALogP

HBA

HBD

90.0

PSA (Å²)

0.33

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 7.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041	IC50	7.51	7.3167	30.7	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	30.7	nM	7.51	Enzyme Assay: Compounds of Formula I were screened for their ability to inhibit ...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	30.7	nM	7.51	Enzyme Assay: RET: Compounds of Formula I were screened for their ability to inh...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	58.7	nM	7.23	RET G810R Mutant Assay: The potency of a compound inhibiting G81 OR mutant RET k...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	58.7	nM	7.23	Enzyme Assay: RET G810R: The potency of a compound inhibiting G810R mutant RET k...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	61.4	nM	7.21	Enzyme Assay: Compounds of Formula I were screened for their ability to inhibit ...	-
Proto-oncogene tyrosine-protein kinase receptor Ret	IC50	=	61.4	nM	7.21	Enzyme Assay: RET: Compounds of Formula I were screened for their ability to inh...	-

Data from ChEMBL 36 via Core Engine