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Compound Detail

CHEMBL1765752

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CNc1nccc(-c2ccc3c(N)n[nH]c3c2)n1

Basic Information

ChEMBL ID CHEMBL1765752
Phase Preclinical
Structure Type MOL
InChI Key DDYPDGLHRVSMBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

240.3
MW (Da)
1.64
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.63
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 C12H12N6
MW 240.27
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.07

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-phosphoinositide-dependent protein kinase 1
CHEMBL2534
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-phosphoinositide-dependent protein kinase 1 IC50 = 1000.0 nM 6.0 Inhibition of PDK1 21341675

Literature References

PubMed DOI Target Context # Activities
21341675 10.1021/jm101527u 3-phosphoinositide-dependent protein kinase 1 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine