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Compound Detail

CHEMBL5632256

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OC[C@H]1O[C@@H](n2cnc3c(NCc4ccco4)ncnc32)C[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5632256
Phase Preclinical
Structure Type MOL
InChI Key AOCQMSCXEXNKSX-QJPTWQEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
0.67
ALogP
9
HBA
3
HBD
118.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O4
MW 331.33
Aromatic Rings 3
Heavy Atoms 24

Literature References

PubMed DOI Target Context # Activities
38280656 10.1016/j.bmcl.2024.129628 HeLa 3
38280656 10.1016/j.bmcl.2024.129628 MCF7 3
38280656 10.1016/j.bmcl.2024.129628 Caco-2 3
38280656 10.1016/j.bmcl.2024.129628 OVCAR-3 3
38280656 10.1016/j.bmcl.2024.129628 MIA PaCa-2 3
38280656 10.1016/j.bmcl.2024.129628 MRC5 3

Data from ChEMBL 36 via Core Engine