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Compound Detail

CHEMBL5563944

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COc1cc2c(cc1OC)N(c1ncc3c(n1)n(C1CCOCC1)c(=O)n3C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5563944
Phase Preclinical
Structure Type MOL
InChI Key KXRXKXCDYDKULJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

411.5
MW (Da)
2.19
ALogP
9
HBA
0
HBD
83.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O4
MW 411.46
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.86

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