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Compound Detail

CHEMBL4520888

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CN(C)C/C=C/C(=O)Nc1cccc(NC(=O)N2CCCC(Nc3cc(-c4cnc5[nH]ccc5c4)ncn3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4520888
Phase Preclinical
Structure Type MOL
InChI Key AXINEEQKXKIFJF-WEVVVXLNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.6
MW (Da)
4.18
ALogP
7
HBA
4
HBD
131.2
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33N9O2
MW 539.64
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
32184968 10.1021/acsmedchemlett.9b00402 Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha 1
32184968 10.1021/acsmedchemlett.9b00402 Phosphatidylinositol 5-phosphate 4-kinase type-2 beta 1

Data from ChEMBL 36 via Core Engine