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Compound Detail

CHEMBL5566583

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COc1ccc(-c2ccc(Nc3ncc4c(n3)n(C3CCOCC3)c(=O)n4C)c(C)n2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566583
Phase Preclinical
Structure Type MOL
InChI Key QMXOQECNVUDBRD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

476.5
MW (Da)
3.61
ALogP
10
HBA
1
HBD
105.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O4
MW 476.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.00

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