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Compound Detail

CHEMBL3260520

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CCCC(Cc1ccccc1)(C(=O)OCC)c1ccnc2c(-c3ccc(Cl)cc3)cnn12

Basic Information

ChEMBL ID CHEMBL3260520
Phase Preclinical
Structure Type MOL
InChI Key YWZUYHIAJSTNIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.0
MW (Da)
5.89
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26ClN3O2
MW 447.97
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.87

Activity Summary

EC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.72 6.72 190.0 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