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Compound Detail

CHEMBL1878086

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COC(=O)C(C)(C)c1cccnc1C#N

Basic Information

ChEMBL ID CHEMBL1878086
Phase Preclinical
Structure Type MOL
InChI Key VJTOAUNPHPPTJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.40
ALogP
4
HBA
0
HBD
63.0
PSA (Ų)
0.68
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 C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1
CHEMBL3964
IC50 5.57 5.57 2696.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine