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Compound Detail

CHEMBL5087707

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NC(=O)[C@@H]1CCCN1C(=O)c1ccc(NC(=O)Nc2ccc(-c3cc(N4CCOCC4)ncn3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5087707
Phase Preclinical
Structure Type MOL
InChI Key DXHCGTRIJGZYRQ-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
2.71
ALogP
7
HBA
3
HBD
142.8
PSA (Ų)
0.46
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O4
MW 515.57
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.67

Literature References

PubMed DOI Target Context # Activities
34971874 10.1016/j.ejmech.2021.114055 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine