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Compound Detail

CHEMBL5282500

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COC(=O)c1c(C)cc2c(c1O)[C@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@]1(OC)[C@H](O)C2)C(=O)C=C(N[C@H]1O[C@@H](C)[C@H](OC)[C@@H](O)[C@H]1OC)C4=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5282500
Phase Preclinical
Structure Type MOL
InChI Key QAXIGMXDHAMYPV-GHGKFLEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

697.6
MW (Da)
-0.25
ALogP
16
HBA
6
HBD
244.7
PSA (Ų)
0.21
QED
3
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C34H35NO15
MW 697.65
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness 1.64

Literature References

PubMed DOI Target Context # Activities
33445154 10.1016/j.ejmech.2020.113149 HCT-116 1

Data from ChEMBL 36 via Core Engine