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Compound Detail

CHEMBL4101595

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CC(=O)OC[C@]12CC[C@H]3[C@@H](C[C@H]4O[C@]45CC=CC(=O)[C@]35C)[C@]1(O)[C@@H](O)C[C@@]2(O)[C@@](C)(O)[C@H]1CC(C)=C(C)C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4101595
Phase Preclinical
Structure Type MOL
InChI Key KLASPKVFMBJPDV-BKBXKVRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

560.6
MW (Da)
1.27
ALogP
10
HBA
4
HBD
163.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40O10
MW 560.64
Aromatic Rings 0
Heavy Atoms 40
NP-Likeness 3.36

Literature References

PubMed DOI Target Context # Activities
28257574 10.1021/acs.jmedchem.7b00069 ACHN 1

Data from ChEMBL 36 via Core Engine