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Compound Detail

CHEMBL4088580

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CC(=O)OCC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)C[C@H](OC(C)=O)[C@@]3(O)[C@@H]4CC=C5CC=CC(=O)[C@]5(C)[C@H]4CC[C@@]32COC(C)=O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088580
Phase Preclinical
Structure Type MOL
InChI Key BRTPZOZXESFNHN-FJUAZGHCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

644.7
MW (Da)
2.17
ALogP
12
HBA
3
HBD
183.0
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44O12
MW 644.71
Aromatic Rings 0
Heavy Atoms 46
NP-Likeness 2.73

Literature References

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

Data from ChEMBL 36 via Core Engine