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Compound Detail

CHEMBL308259

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C=C1[C@@H](OC(=O)/C=C/c2ccccc2)C[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@H]12)C3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL308259
Phase Preclinical
Structure Type MOL
InChI Key SLJNSLIEGINNEE-UWUOQQJISA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

664.8
MW (Da)
4.87
ALogP
11
HBA
0
HBD
148.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H44O11
MW 664.75
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness 2.42

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12217376 10.1016/s0960-894x(02)00528-0 KB 3-1 2
- 10.1016/S0960-894X(97)00029-2 Unchecked 2
12217376 10.1016/s0960-894x(02)00528-0 ADMET 1
- 10.1016/S0960-894X(97)00029-2 L1210 1
- 10.1016/S0960-894X(97)00029-2 ADMET 1
- 10.1016/S0960-894X(97)00439-3 P388 1
28240909 10.1021/acs.jnatprod.7b00006 Unchecked 1
28240909 10.1021/acs.jnatprod.7b00006 HeLa 1

Data from ChEMBL 36 via Core Engine