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Compound Detail

CHEMBL189227

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

Basic Information

ChEMBL ID CHEMBL189227
Phase Preclinical
Structure Type MOL
InChI Key PFRZLTOYSDPONB-DPULPPKLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
3.94
ALogP
4
HBA
2
HBD
90.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H45N3O4
MW 487.69
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 1.14

Literature References

PubMed DOI Target Context # Activities
15341492 10.1021/jm040056u KB 2
15341492 10.1021/jm040056u Tubulin beta-1 chain 1
15341492 10.1021/jm040056u NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine