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Compound Detail

CHEMBL152765

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COc1cc(/C=N/NC(=O)c2ccc(O)c(C#N)c2)cc(OC)c1OCc1ccc(C(C)C)cc1

Basic Information

ChEMBL ID CHEMBL152765
Phase Preclinical
Structure Type MOL
InChI Key TZRBHYBSDPWVRW-WKULSOCRSA-N
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

473.5
MW (Da)
4.75
ALogP
7
HBA
2
HBD
113.2
PSA (Ų)
0.34
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 C27H27N3O5
MW 473.53
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.96

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucagon receptor
CHEMBL4720
IC50 9.0 9.0 1.0 1
Glucagon receptor
CHEMBL1985
IC50 7.7 7.7 20.0 2

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.0 hr -

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11844695 10.1016/s0960-894x(01)00819-8 Glucagon receptor 2
11844695 10.1016/s0960-894x(01)00819-8 Rattus norvegicus 1
11844695 10.1016/s0960-894x(01)00819-8 ADMET 1
12477359 10.1021/jm0208572 Glucagon receptor 1

Data from ChEMBL 36 via Core Engine