Compound Detail

CHEMBL247044

Enter ChEMBL ID:

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

CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCCN(C)C)c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL247044
Phase	Preclinical
Structure Type	MOL
InChI Key	FTEPMVFWUZEGMB-QHCPKHFHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

381.5

MW (Da)

4.18

ALogP

HBA

HBD

35.9

PSA (Å²)

0.72

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 9.7

EC50 1 meas. best 8.49

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Kinesin-like protein KIF11 CHEMBL4581	IC50	9.7	9.7	0.2	1
Kinesin-like protein KIF11 CHEMBL4581	EC50	8.49	8.49	3.2	1
Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240	IC50	5.52	5.52	3036.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Kinesin-like protein KIF11	IC50	=	0.2	nM	9.7	Inhibition of kinesin spindle protein by ATPase assay	17766111
Kinesin-like protein KIF11	EC50	=	3.2	nM	8.49	Inhibition of KSP-induced nucleolin phosphorylation in cell-based mitotic arrest...	17766111
Voltage-gated inwardly rectifying potassium channel KCNH2	IC50	=	3036.0	nM	5.52	Inhibition of hERG expressed in HEK cells	17766111

PubMed	DOI	Target Context	# Activities
17766111	10.1016/j.bmcl.2007.07.074	Kinesin-like protein KIF11	2
17766111	10.1016/j.bmcl.2007.07.074	Plasma	2
17766111	10.1016/j.bmcl.2007.07.074	No relevant target	1
17766111	10.1016/j.bmcl.2007.07.074	KB 3-1	1
17766111	10.1016/j.bmcl.2007.07.074	Voltage-gated inwardly rectifying potassium channel KCNH2	1
17766111	10.1016/j.bmcl.2007.07.074	A2780	1

Data from ChEMBL 36 via Core Engine