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Compound Detail

CHEMBL4129270

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CC(=O)N(C)c1cc(-c2cc(Cl)c3c(c2)CN([C@@H](C)C2CC2)C3=O)on1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129270
Phase Preclinical
Structure Type MOL
InChI Key PPRDMLRHQKIIPP-JTQLQIEISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.8
MW (Da)
3.73
ALogP
4
HBA
0
HBD
66.7
PSA (Ų)
0.82
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 C19H20ClN3O3
MW 373.84
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.89

Literature References

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

Data from ChEMBL 36 via Core Engine