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Compound Detail

CHEMBL1771078

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CC(C)(C)OC(=O)N1CCC(C2CCN(c3cnccn3)CC2)CC1

Basic Information

ChEMBL ID CHEMBL1771078
Phase Preclinical
Structure Type MOL
InChI Key NXNZCIXBIDICRH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
3.34
ALogP
5
HBA
0
HBD
58.6
PSA (Ų)
0.82
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 C19H30N4O2
MW 346.48
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.35

Activity Summary

EC50 2 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 6.99 6.99 103.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 6.85 6.85 142.0 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