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Compound Detail

CHEMBL160314

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Fc1ccc(-c2cc[nH]c2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL160314
Phase Preclinical
Structure Type MOL
InChI Key RRGXAHXPWSPEEU-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
3.88
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
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 C15H11FN2
MW 238.26
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.8 6.8 160.0 1
Glucagon receptor
CHEMBL1985
IC50 6.79 6.79 160.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 160.0 nM 6.8 Inhibitory activity against p38-alpha kinase 10201821
Glucagon receptor IC50 = 160.32 nM 6.79 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