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Compound Detail

CHEMBL3794107

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CONc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3794107
Phase Preclinical
Structure Type MOL
InChI Key WDRMEIBBZQDXSL-GSWPYSDESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
-1.62
ALogP
11
HBA
5
HBD
160.8
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N6O5
MW 326.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.89

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