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Compound Detail

CHEMBL5632437

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Nc1nc(NCc2ccco2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5632437
Phase Preclinical
Structure Type MOL
InChI Key DTOXHQUCHLAJFD-IDTAVKCVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
-0.77
ALogP
11
HBA
5
HBD
164.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N6O5
MW 362.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.13

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