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Compound Detail

CHEMBL5575226

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Cc1cc(-c2cnn(C)c2)ncc1Nc1ncc2c(n1)n(CC1CCOCC1)c(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5575226
Phase Preclinical
Structure Type MOL
InChI Key PZMVYOGIHQYTOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.40
ALogP
10
HBA
1
HBD
104.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N8O2
MW 434.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.72

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