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Compound Detail

CHEMBL236532

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Cc1cc(C)c(C(=O)OC[C@H]2O[C@@H](n3cnc4c(Cl)ncnc43)C[C@@H]2O)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236532
Phase Preclinical
Structure Type MOL
InChI Key UZTCUMQGMUKVEC-RRFJBIMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
2.91
ALogP
8
HBA
1
HBD
99.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN4O4
MW 416.87
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
17766124 10.1016/j.bmc.2007.08.025 Hepatitis C virus 1
17766124 10.1016/j.bmc.2007.08.025 ADMET 1
17766124 10.1016/j.bmc.2007.08.025 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine