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Compound Detail

CHEMBL2376916

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O=C(NCCN1CCOCC1)c1cccc(-n2ncc3cc(Nc4c(Cl)cccc4Cl)ccc32)c1

Basic Information

ChEMBL ID CHEMBL2376916
Phase Preclinical
Structure Type MOL
InChI Key BVLMMOAMFUAZEC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

510.4
MW (Da)
5.14
ALogP
6
HBA
2
HBD
71.4
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25Cl2N5O2
MW 510.43
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.97

Activity Summary

IC50 2 meas. best 7.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 7.11 7.11 77.0 1
Mitogen-activated protein kinase 8
CHEMBL2276
IC50 5.86 5.86 1380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23518277 10.1016/j.bmcl.2013.02.082 Unchecked 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 8 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine