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Compound Detail

CHEMBL4125955

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CC(=O)Nc1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1

Basic Information

ChEMBL ID CHEMBL4125955
Phase Preclinical
Structure Type MOL
InChI Key ALHYYNUQHJPBGH-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.8
MW (Da)
3.71
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.90
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 C18H18ClN3O3
MW 359.81
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.05

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.8 6.8 158.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29852070 10.1021/acs.jmedchem.8b00447 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 2
29852070 10.1021/acs.jmedchem.8b00447 PI3-kinase p110-alpha/p85-alpha 1

Data from ChEMBL 36 via Core Engine