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Compound Detail

CHEMBL361010

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CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL361010
Phase Preclinical
Structure Type BOTH
InChI Key LTYVUHJPBORWCJ-KAOXLYBCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

530.7
MW (Da)
2.64
ALogP
5
HBA
3
HBD
119.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H46N4O5
MW 530.71
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
15261301 10.1016/j.bmcl.2004.05.005 KB 3-1 2
15261301 10.1016/j.bmcl.2004.05.005 Beta tubulin 1
15261301 10.1016/j.bmcl.2004.05.005 KB 1

Data from ChEMBL 36 via Core Engine