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Compound Detail

CHEMBL160627

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Cc1cc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1

Basic Information

ChEMBL ID CHEMBL160627
Phase Preclinical
Structure Type MOL
InChI Key ZIRPNTIMTLOHIL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
4.19
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13FN2
MW 252.29
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.5 6.5 320.0 1
Glucagon receptor
CHEMBL1985
IC50 6.49 6.49 320.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 320.0 nM 6.5 Inhibitory activity against p38-alpha kinase 10201821
Glucagon receptor IC50 = 320.63 nM 6.49 Antagonist activity at human glucagon receptor -

Literature References

PubMed DOI Target Context # Activities
10201821 10.1016/s0960-894x(99)00081-5 Glucagon receptor 4
10201821 10.1016/s0960-894x(99)00081-5 Mitogen-activated protein kinase 14 1
10201821 10.1016/s0960-894x(99)00081-5 Unchecked 1
- 10.1007/s00044-013-0801-3 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine