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Compound Detail

CHEMBL1765755

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COc1nccc(-c2ccc3c(N)n[nH]c3c2)n1

Basic Information

ChEMBL ID CHEMBL1765755
Phase Preclinical
Structure Type MOL
InChI Key LCUSVWOHZDAQOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.61
ALogP
5
HBA
2
HBD
89.7
PSA (Ų)
0.71
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 C12H11N5O
MW 241.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 4.9 4.9 12589.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-phosphoinositide-dependent protein kinase 1 IC50 = 12589.25 nM 4.9 Inhibition of PDK1 21341675

Literature References

PubMed DOI Target Context # Activities
21341675 10.1021/jm101527u 3-phosphoinositide-dependent protein kinase 1 1

Data from ChEMBL 36 via Core Engine