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Compound Detail

CHEMBL156207

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CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL156207
Phase Preclinical
Structure Type MOL
InChI Key PYBSFQAXDAATMH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

360.5
MW (Da)
6.27
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.43
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 C22H17FN2S
MW 360.46
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.03

Activity Summary

IC50 2 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 6.54 6.54 290.0 1
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.91 5.91 1230.0 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 1
10201821 10.1016/s0960-894x(99)00081-5 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine