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Compound Detail

CHEMBL463610

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

Basic Information

ChEMBL ID CHEMBL463610
Phase Preclinical
Structure Type MOL
InChI Key XFAJVRZWASBIBG-MLOLEURXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
3.08
ALogP
3
HBA
2
HBD
86.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H36N2O4
MW 368.52
Aromatic Rings 0
Heavy Atoms 26
NP-Likeness 1.28

Literature References

PubMed DOI Target Context # Activities
12608848 10.1021/np020375t MCF7 2

Data from ChEMBL 36 via Core Engine