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Compound Detail

CHEMBL4102603

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CO[C@H](C(=O)N[C@@H]1CCCCNC1=O)[C@@H](O)[C@H](O)[C@@H](O)/C=C/C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4102603
Phase Preclinical
Structure Type MOL
InChI Key QBOZJYBWSKZELU-CHKSXLJLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
-0.92
ALogP
6
HBA
5
HBD
128.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H30N2O6
MW 358.44
Aromatic Rings 0
Heavy Atoms 25
NP-Likeness 1.35

Literature References

PubMed DOI Target Context # Activities
28185457 10.1021/acs.jnatprod.6b00970 HCT-116 1

Data from ChEMBL 36 via Core Engine