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Compound Detail

CHEMBL1771094

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Cc1cnc(N2CCC(C3CCN(c4cc(C#N)nc(C)n4)CC3)CC2)nc1

Basic Information

ChEMBL ID CHEMBL1771094
Phase Preclinical
Structure Type MOL
InChI Key XYIOHXCUULYVIG-UHFFFAOYSA-N
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
2.89
ALogP
7
HBA
0
HBD
81.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N7
MW 377.50
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.35

Activity Summary

EC50 2 meas. best 8.1
IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucose-dependent insulinotropic receptor
CHEMBL5652
EC50 8.1 8.1 8.0 1
Glucose-dependent insulinotropic receptor
CHEMBL5263
EC50 8.0 8.0 10.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 5.75 5.75 1800.0 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
21273063 10.1016/j.bmcl.2010.12.086 Voltage-gated inwardly rectifying potassium channel KCNH2 1
21273063 10.1016/j.bmcl.2010.12.086 Mus musculus 1

Data from ChEMBL 36 via Core Engine