Compound Detail

CHEMBL87162

Enter ChEMBL ID:

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

COc1cc(/C=C\c2ccccc2)cc(OC)c1OC

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL87162
Phase	Preclinical
Structure Type	MOL
InChI Key	CMQGCWMEXQRWSS-KTKRTIGZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

270.3

MW (Da)

3.88

ALogP

HBA

HBD

27.7

PSA (Å²)

0.77

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 4.44

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Tubulin CHEMBL2094134	IC50	4.44	4.44	36000.0	1
Tubulin CHEMBL2095182	IC50	4.44	4.44	36307.8	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Tubulin	IC50	=	36000.0	nM	4.44	Ability to inhibit Tubulin polymerization in Bovine brain	1875350
Tubulin	IC50	=	36307.81	nM	4.44	Inhibition of tubulin polymerization in Homo sapiens (human) solid tumor cells	-

PubMed	DOI	Target Context	# Activities
23867387	10.1016/j.bmc.2013.06.048	NON-PROTEIN TARGET	6
1875350	10.1021/jm00112a036	Tubulin	2
-	10.1007/s00044-012-0212-x	Brontispa longissima	2
1875350	10.1021/jm00112a036	A549	1
1875350	10.1021/jm00112a036	MCF7	1
1875350	10.1021/jm00112a036	HT-29	1
1875350	10.1021/jm00112a036	SK-MEL-5	1
1875350	10.1021/jm00112a036	MLM	1
-	10.1007/s00044-012-0327-0	Tubulin	1
23416004	10.1016/j.bmcl.2013.01.074	HepG2	1
23416004	10.1016/j.bmcl.2013.01.074	HEK293	1
32912434	10.1016/j.bmc.2020.115684	HepG2	1
32912434	10.1016/j.bmc.2020.115684	HeLa	1
32912434	10.1016/j.bmc.2020.115684	HCT-116	1

Data from ChEMBL 36 via Core Engine