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Compound Detail

CHEMBL351333

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COc1cc(/C=C/C(=O)Nc2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351333
Phase Preclinical
Structure Type MOL
InChI Key HXTHOZHVVHLUTL-KPKJPENVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.0
MW (Da)
6.42
ALogP
5
HBA
2
HBD
77.0
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28ClNO5
MW 481.98
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 5.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 5.19 5.19 6400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 6400.0 nM 5.19 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