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Compound Detail

CHEMBL158556

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COc1cc(/C=N/NC(=O)c2ccc(O)c(O)c2)cc(OC)c1OCc1ccc(C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL158556
Phase Preclinical
Structure Type MOL
InChI Key JVTKREBQPUBQLX-MZJWZYIUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.5
MW (Da)
4.58
ALogP
7
HBA
3
HBD
109.6
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28N2O6
MW 464.52
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.63

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL1985
 IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucagon receptor IC50 = 2700.0 nM 5.57 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