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Compound Detail

CHEMBL1771080

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CC(C)(C)OC(=O)N1CCC(C2CCN(c3cc(C#N)ncn3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL1771080
Phase Preclinical
Structure Type MOL
InChI Key ULTPMBFRFOMPCB-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
3.21
ALogP
6
HBA
0
HBD
82.3
PSA (Ų)
0.79
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 C20H29N5O2
MW 371.49
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.26

Activity Summary

EC50 2 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 8.22 8.22 6.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 7.51 7.51 31.0 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