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Compound Detail

CHEMBL2096805

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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)C)C(C)(C)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2096805
Phase Preclinical
Structure Type MOL
InChI Key CNTMOLDWXSVYKD-TYOFZRJGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

473.7
MW (Da)
3.60
ALogP
4
HBA
3
HBD
98.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H43N3O4
MW 473.66
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 1.50

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