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Compound Detail

CHEMBL153157

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Cc1cc(C)c(C)c(Cn2ccc3c(/C=N/NC(=O)c4ccc(O)c(Cl)c4)cccc32)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153157
Phase Preclinical
Structure Type MOL
InChI Key LSELQPPLNRLWOX-IPPBACCNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
6.05
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.28
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26ClN3O2
MW 459.98
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 8.28 8.28 5.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 5.3 nM 8.28 In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... 12477359

Literature References

PubMed DOI Target Context # Activities
12477359 10.1021/jm0208572 Glucagon receptor 1
12477359 10.1021/jm0208572 ADMET 1

Data from ChEMBL 36 via Core Engine