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Compound Detail

CHEMBL3337580

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C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1c1cnc2c(N)nc(Cl)nn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337580
Phase Preclinical
Structure Type MOL
InChI Key DHEALCGIQCNHKD-FHZUQPTBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

315.7
MW (Da)
-1.10
ALogP
9
HBA
4
HBD
139.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14ClN5O4
MW 315.72
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.72

Literature References

PubMed DOI Target Context # Activities
25288185 10.1016/j.bmcl.2014.09.030 Hepatitis C virus 1
25288185 10.1016/j.bmcl.2014.09.030 ADMET 1

Data from ChEMBL 36 via Core Engine