Compound Detail

CHEMBL474469

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Cc1cc(N2CCC(N3C[C@@H]4C[C@@H]3CO4)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL474469
Phase	Preclinical
Structure Type	MOL
InChI Key	LVOHHKIFPDWJJY-ONBPZOJHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

575.1

MW (Da)

4.47

ALogP

HBA

HBD

109.5

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 9.3

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Cytochrome P450 3A4 CHEMBL340	IC50	9.3	9.3	0.5	1
Mus musculus CHEMBL375	IC50	9.3	9.3	0.5	1
Insulin-like growth factor 1 receptor CHEMBL1957	IC50	7.54	7.54	29.0	1
Insulin-like growth factor 1 receptor CHEMBL5381	IC50	7.07	7.07	86.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Cytochrome P450 3A4	IC50	=	0.5	nM	9.3	Inhibition of CYP3A4	18572407
Mus musculus	IC50	=	0.5	nM	9.3	AUC (0 to 4 hrs) in mouse plasma at 20 mg/kg, po	18572407
Insulin-like growth factor 1 receptor	IC50	=	29.0	nM	7.54	Inhibition of IGF1R	18572407
Insulin-like growth factor 1 receptor	IC50	=	86.0	nM	7.07	Inhibition of IGF1R in mouse SAL cells assessed as thymidine incorporation	18572407

PubMed	DOI	Target Context	# Activities
18572407	10.1016/j.bmcl.2008.05.104	Insulin-like growth factor 1 receptor	2
18572407	10.1016/j.bmcl.2008.05.104	Cytochrome P450 3A4	1
18572407	10.1016/j.bmcl.2008.05.104	Mus musculus	1

Data from ChEMBL 36 via Core Engine