Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL152767

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152767
Phase Preclinical
Structure Type MOL
InChI Key MSXZXFPYTVQJIL-UHFFFAOYSA-N
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
5.21
ALogP
3
HBA
2
HBD
55.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClN2O
MW 336.82
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.19

Activity Summary

IC50 9 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.4 8.125 4.0 2
MAP kinase p38
CHEMBL2094115
 IC50 8.22 7.992 6.0 5
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4.0 nM 8.4 Anti-inflammatory activity in human PBMC cells assessed as inhibition of LPS-ind... 30542530
MAP kinase p38 IC50 = 6.0 nM 8.22 In vitro inhibition of TNF-alpha release from LPS stimulated human peripheral bl... 14667219
MAP kinase p38 IC50 = 6.0 nM 8.22 In vitro inhibition of cytokine IL-8 release by human polymorphonuclear cells 14667219
Mitogen-activated protein kinase 14 IC50 = 10.0 nM 8.0 In vitro inhibitory activity determined against human mitogen-activated protein ... 14667219
Mitogen-activated protein kinase 14 IC50 = 10.0 nM 8.0 Inhibition of P38alphaMAPK (unknown origin) 30542530
MAP kinase p38 IC50 = 12.0 nM 7.92 In vitro inhibition of cytokine IL-10 release by human polymorphonuclear cells 14667219
MAP kinase p38 IC50 = 14.0 nM 7.85 In vitro inhibition of IL1-beta release from LPS stimulated human peripheral blo... 14667219
Unchecked IC50 = 14.0 nM 7.85 Anti-inflammatory activity in human PBMC cells assessed as inhibition of LPS-ind... 30542530
MAP kinase p38 IC50 = 18.0 nM 7.75 In vitro inhibition of cytokine IL-6 release by human polymorphonuclear cells 14667219

Literature References

PubMed DOI Target Context # Activities
14667219 10.1021/jm030851s MAP kinase p38 5
14667219 10.1021/jm030851s Mus musculus 5
14667219 10.1021/jm030851s Homo sapiens 3
14667219 10.1021/jm030851s Mitogen-activated protein kinase 14 2
14667219 10.1021/jm030851s Myeloperoxidase 2
30542530 10.1039/C8MD00300A Unchecked 2
14667219 10.1021/jm030851s Mitogen-activated protein kinase 11 1
14667219 10.1021/jm030851s Mitogen-activated protein kinase 12 1
14667219 10.1021/jm030851s Mitogen-activated protein kinase 13 1
14667219 10.1021/jm030851s Mitogen-activated protein kinase; ERK1/ERK2 1
14667219 10.1021/jm030851s Mitogen-activated protein kinase 8 1
30542530 10.1039/C8MD00300A Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine