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Compound Detail

CHEMBL4083718

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C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCC)[C@@H](CCO)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4083718
Phase Preclinical
Structure Type MOL
InChI Key ODXMNBRNTDMSJW-CNHUCYEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
1.18
ALogP
6
HBA
4
HBD
133.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H37N3O6
MW 451.56
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 1.78

Literature References

PubMed DOI Target Context # Activities
28075592 10.1021/acs.jmedchem.6b01745 MCF7 2
28075592 10.1021/acs.jmedchem.6b01745 K562 1

Data from ChEMBL 36 via Core Engine