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Compound Detail

CHEMBL347663

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CC(C)COc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL347663
Phase Preclinical
Structure Type MOL
InChI Key FFRLVMNTSSMAOD-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

402.9
MW (Da)
7.10
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23ClN2O
MW 402.93
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.73

Activity Summary

IC50 5 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 8.52 6.88 3.0 3
Glucagon receptor
CHEMBL4773
IC50 6.82 6.82 150.0 1
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.42 5.42 3760.0 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