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Compound Detail

CHEMBL183335

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CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)[S+](C)[O-])C(C)(C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183335
Phase Preclinical
Structure Type MOL
InChI Key HAKROMHHTYVPIY-RQALXSHNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
2.71
ALogP
5
HBA
3
HBD
121.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H43N3O5S
MW 521.72
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.28

Literature References

PubMed DOI Target Context # Activities
15261296 10.1016/j.bmcl.2004.05.077 KB 3-1 2
15261296 10.1016/j.bmcl.2004.05.077 Beta tubulin 1
15261296 10.1016/j.bmcl.2004.05.077 KB 1

Data from ChEMBL 36 via Core Engine