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Compound Detail

CHEMBL4174131

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COC(=O)C[C@](O)(CCC(C)(C)O)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2C(=O)c2cc4c(cc2[C@H]13)OCO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174131
Phase Preclinical
Structure Type MOL
InChI Key BVPJWQGXRRRMAB-PDMAMLTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

531.6
MW (Da)
1.79
ALogP
10
HBA
2
HBD
141.1
PSA (Ų)
0.48
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO10
MW 531.56
Aromatic Rings 1
Heavy Atoms 38
NP-Likeness 1.76

Literature References

PubMed DOI Target Context # Activities
29286665 10.1021/acs.jnatprod.7b00541 HL-60 1

Data from ChEMBL 36 via Core Engine