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Compound Detail

CHEMBL1771081

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Cc1cc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc(C#N)n1

Basic Information

ChEMBL ID CHEMBL1771081
Phase Preclinical
Structure Type MOL
InChI Key KNCPOVOEJDRDFH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
3.52
ALogP
6
HBA
0
HBD
82.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H31N5O2
MW 385.51
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

EC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 9.0 9.0 1.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21273063 10.1016/j.bmcl.2010.12.086 Glucose-dependent insulinotropic receptor 2

Data from ChEMBL 36 via Core Engine