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Compound Detail

CHEMBL128080

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C=C1[C@@H](O)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(C)=O)C[C@@H]([C@@H](O)[C@H]12)C3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128080
Phase Preclinical
Structure Type MOL
InChI Key BACKFCRAHXFXCH-LNLYLEBQSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

536.6
MW (Da)
2.39
ALogP
10
HBA
2
HBD
145.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H40O10
MW 536.62
Aromatic Rings 0
Heavy Atoms 38
NP-Likeness 2.95

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00029-2 Unchecked 2
- 10.1016/S0960-894X(97)00029-2 L1210 1
- 10.1016/S0960-894X(97)00029-2 ADMET 1
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine