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Compound Detail

CHEMBL160289

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Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL160289
Phase Preclinical
Structure Type MOL
InChI Key LNMRMFNBFNYCEK-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
5.86
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17FN2
MW 328.39
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.86

Activity Summary

IC50 4 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 6.6 6.01 250.0 3
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.77 5.77 1690.0 1

Activity Data Samples

Top measurements by pChEMBL value

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