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Compound Detail

CHEMBL2376271

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CCO[C@@H]1[C@H](OCC)[C@@H](OCC)C=C2c3cc4c(cc3C(=O)N(CC)[C@H]21)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376271
Phase Preclinical
Structure Type MOL
InChI Key RUJDKXQNTIMGJB-BQJUDKOJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
2.87
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29NO6
MW 403.48
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
23511018 10.1016/j.bmcl.2013.02.089 Unchecked 1
23511018 10.1016/j.bmcl.2013.02.089 Hepatitis C virus 1
23511018 10.1016/j.bmcl.2013.02.089 ADMET 1

Data from ChEMBL 36 via Core Engine