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Compound Detail

CHEMBL3794266

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COc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@]3(C)O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794266
Phase Preclinical
Structure Type MOL
InChI Key HAKMOAKUQXEYRT-GSWPYSDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
-1.58
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5O5
MW 311.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
26819659 10.1021/acsmedchemlett.5b00402 Hepatitis C virus 2
26819659 10.1021/acsmedchemlett.5b00402 PBMC 1
26819659 10.1021/acsmedchemlett.5b00402 CCRF-CEM 1
26819659 10.1021/acsmedchemlett.5b00402 Vero 1
26819659 10.1021/acsmedchemlett.5b00402 ADMET 1

Data from ChEMBL 36 via Core Engine