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Compound Detail

CHEMBL5415114

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CN(C)CCCC(=O)Nc1ccc(C(=O)N2CC[C@H](Nc3nccc(-c4c(-c5ccccc5)nn5ccccc45)n3)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5415114
Phase Preclinical
Structure Type MOL
InChI Key HDSKLOGUAXMLMX-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

588.7
MW (Da)
5.07
ALogP
8
HBA
2
HBD
107.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H36N8O2
MW 588.72
Aromatic Rings 5
Heavy Atoms 44
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
36826833 10.1021/acs.jmedchem.2c01834 1-phosphatidylinositol 3-phosphate 5-kinase 2

Data from ChEMBL 36 via Core Engine