Compound Detail

CHEMBL3623894

Enter ChEMBL ID:

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

Cc1cc(-c2ccc(CCC(=O)Nc3ccc(-c4cnccn4)cn3)cc2)ccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3623894
Phase	Preclinical
Structure Type	MOL
InChI Key	UBCHFVBCRIKZNI-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

395.5

MW (Da)

4.48

ALogP

HBA

HBD

80.7

PSA (Å²)

0.52

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 1 meas. best 9.72

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Protein-serine O-palmitoleoyltransferase porcupine CHEMBL1255163	IC50	9.72	9.72	0.2	1

Parameter	Value	Units	Species
CL	84.0	mL.min-1.kg-1	Homo sapiens
CL	1260.0	mL.min-1.kg-1	Mus musculus
T1/2	0.35	hr	Homo sapiens
T1/2	0.08	hr	Mus musculus

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Protein-serine O-palmitoleoyltransferase porcupine	IC50	=	0.19	nM	9.72	Inhibition of porcupine (unknown origin) expressed in mouse L Wnt3A cells co-cul...	26455655

PubMed	DOI	Target Context	# Activities
26455655	10.1016/j.bmc.2015.09.048	No relevant target	3
26455655	10.1016/j.bmc.2015.09.048	Plasma	3
26455655	10.1016/j.bmc.2015.09.048	Liver microsome	2
26455655	10.1016/j.bmc.2015.09.048	Liver	2
26455655	10.1016/j.bmc.2015.09.048	Protein-serine O-palmitoleoyltransferase porcupine	1
26455655	10.1016/j.bmc.2015.09.048	Cytochrome P450 3A4	1
26455655	10.1016/j.bmc.2015.09.048	Cytochrome P450 2D6	1

Data from ChEMBL 36 via Core Engine