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Compound Detail

CHEMBL157064

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COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL157064
Phase Preclinical
Structure Type MOL
InChI Key ACMRUPCRSYINDG-SRZZPIQSSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
3.97
ALogP
4
HBA
2
HBD
70.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15ClN2O3
MW 354.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.15

Activity Summary

IC50 1 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
IC50 6.06 6.06 870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 870.0 nM 6.06 In vitro inhibitory activity against human glucagon receptor using [127I]-labele... 11844695

Literature References

PubMed DOI Target Context # Activities
11844695 10.1016/s0960-894x(01)00819-8 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine