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Compound Detail

CHEMBL1162523

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CC(=O)[C@H]1CC[C@H]2C34C=C[C@]5(C[C@@H](O)CC[C@]5(C)C3=CC[C@]12C)[C@H](C(=O)O)[C@@H]4C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1162523
Phase Preclinical
Structure Type MOL
InChI Key NEZTUQCJKXTWFV-QSZMKSGGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.45
ALogP
4
HBA
3
HBD
111.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32O6
MW 428.53
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.29

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
18855373 10.1021/jm800571m Unchecked 1

Data from ChEMBL 36 via Core Engine