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Compound Detail

CHEMBL62334

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CCC(CC)(CC)n1cnc2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL62334
Phase Preclinical
Structure Type MOL
InChI Key VDEKFJARTGYNKE-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.33
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H19N5
MW 233.32
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.30

Activity Summary

IC50 1 meas.
Ki 1 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-kinase, PI4K
CHEMBL2096619
Ki 4.03 4.03 93700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4-kinase, PI4K Ki = 93700.0 nM 4.03 Binding affinity (Ki) against human phosphatidylinositol 4-kinase 2165159

Literature References

PubMed DOI Target Context # Activities
2165159 10.1021/jm00170a005 Phosphatidylinositol 4-kinase, PI4K 2
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine