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Compound Detail

CHEMBL5594448

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Cn1c(=O)n(C2CCOCC2)c2nc(N3CCc4cc(C(F)(F)F)ccc43)ncc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5594448
Phase Preclinical
Structure Type MOL
InChI Key OXVMCPNHTIZIGT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
3.19
ALogP
7
HBA
0
HBD
65.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20F3N5O2
MW 419.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
38117951 10.1021/acs.jmedchem.3c01338 DNA-dependent protein kinase catalytic subunit 3
38117951 10.1021/acs.jmedchem.3c01338 HCT-116 1

Data from ChEMBL 36 via Core Engine