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Compound Detail

CHEMBL450647

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Cc1cc(C)c(-c2cc([C@H](C)O/N=C3\[C@H]4CCn5c(=O)n(-c6ccccc6)c(=O)n5C4[C@H](O)[C@@H]4O[C@H]34)on2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450647
Phase Preclinical
Structure Type MOL
InChI Key IYQFJRWGCURKTE-RTJVJMDVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

557.6
MW (Da)
3.22
ALogP
11
HBA
1
HBD
129.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H31N5O6
MW 557.61
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
17682098 10.1128/aac.00233-07 Hepatitis C virus 3
17682098 10.1128/aac.00233-07 ADMET 1

Data from ChEMBL 36 via Core Engine