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Compound Detail

CHEMBL4850598

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CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(O)(CO)CCO)[C@]4(C)CC[C@@H]3[C@@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850598
Phase Preclinical
Structure Type MOL
InChI Key KIYSLCLSMLJTHY-YWQMYHFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

550.7
MW (Da)
3.08
ALogP
9
HBA
3
HBD
139.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H46O9
MW 550.69
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 2.69

Literature References

PubMed DOI Target Context # Activities
33661631 10.1021/acs.jnatprod.0c01217 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine