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Compound Detail

CHEMBL183063

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

Basic Information

ChEMBL ID CHEMBL183063
Phase Preclinical
Structure Type BOTH
InChI Key FJLMTHNGBKEQIW-IPMKNSEASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
2.65
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H39N3O4
MW 433.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 0.85

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