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Compound Detail

CHEMBL4527508

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C=C(C)[C@]12C[C@@H](COC(=O)c3ccccc3)[C@@]34OC5(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(COC(=O)c1ccccc1)[C@@H](O)[C@@]1(O)[C@H]4[C@H]([C@H](C)[C@@H]1OC(=O)c1ccccc1)[C@H](C)CCCCCC[C@H]5O)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527508
Phase Preclinical
Structure Type MOL
InChI Key JSNASAADKGUPOK-XTDKYWCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

879.0
MW (Da)
6.19
ALogP
13
HBA
3
HBD
179.8
PSA (Ų)
0.10
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H58O13
MW 879.01
Aromatic Rings 3
Heavy Atoms 64
NP-Likeness 1.82

Literature References

PubMed DOI Target Context # Activities
31343875 10.1021/acs.jmedchem.9b00339 MT4 1
31343875 10.1021/acs.jmedchem.9b00339 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine