Compound Detail

CHEMBL2287511

Enter ChEMBL ID:

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

CCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(Cl)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL2287511
Phase	Preclinical
Structure Type	MOL
InChI Key	NKPZBBDRVLRTLX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

401.7

MW (Da)

5.40

ALogP

HBA

HBD

67.4

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 2 meas. best 5.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
MONO-MAC-6 CHEMBL2366062	IC50	5.16	5.16	7000.0	1
Photosystem II protein D1 CHEMBL2366481	IC50	4.25	4.25	56400.0	1

Parameter	Value	Units	Species
T1/2	43.0	hr	-
T1/2	64.0	hr	-

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
MONO-MAC-6	IC50	=	7000.0	nM	5.16	Cytostatic activity against human MONO-MAC-6 cells assessed as cell viability af...	26210507
Photosystem II protein D1	IC50	=	56400.0	nM	4.25	Inhibition of photosystem II in Spinacia oleracea (spinach) chloroplasts assesse...	21724391

PubMed	DOI	Target Context	# Activities
26210507	10.1016/j.ejmech.2015.07.001	Mycobacterium tuberculosis	8
26210507	10.1016/j.ejmech.2015.07.001	Unchecked	5
21724391	10.1016/j.bmcl.2011.05.118	ADMET	2
21724391	10.1016/j.bmcl.2011.05.118	No relevant target	2
26210507	10.1016/j.ejmech.2015.07.001	Mycobacteroides abscessus	2
21724391	10.1016/j.bmcl.2011.05.118	Photosystem II protein D1	1
26210507	10.1016/j.ejmech.2015.07.001	No relevant target	1
26210507	10.1016/j.ejmech.2015.07.001	MONO-MAC-6	1

Data from ChEMBL 36 via Core Engine