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Compound Detail

CHEMBL5207667

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Nc1cnc2c(ccn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5207667
Phase Preclinical
Structure Type MOL
InChI Key CUICMNYNTGBVDV-DNRKLUKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
-0.77
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O4
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.77

Literature References

PubMed DOI Target Context # Activities
35144125 10.1016/j.ejmech.2022.114165 MRC5 1
35144125 10.1016/j.ejmech.2022.114165 Trypanosoma cruzi 1
35144125 10.1016/j.ejmech.2022.114165 ADMET 1
35144125 10.1016/j.ejmech.2022.114165 Leishmania infantum 1
35144125 10.1016/j.ejmech.2022.114165 Macrophage 1

Data from ChEMBL 36 via Core Engine