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Compound Detail

CHEMBL3260524

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CCOC(=O)C(C)(CC(C)C)c1ccnc2c(-c3ccc(Cl)cc3)cnn12

Basic Information

ChEMBL ID CHEMBL3260524
Phase Preclinical
Structure Type MOL
InChI Key CPFRWWVBDZSMHO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.9
MW (Da)
4.92
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24ClN3O2
MW 385.89
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.10

Activity Summary

EC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24751443 10.1016/j.bmcl.2014.03.023 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine