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Compound Detail

CHEMBL4444766

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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(CO)C(=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 CHEMBL4444766
Phase Preclinical
Structure Type MOL
InChI Key LGFWAAWZYAJLNH-BCUMEFNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

772.9
MW (Da)
4.54
ALogP
12
HBA
3
HBD
170.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C44H52O12
MW 772.89
Aromatic Rings 2
Heavy Atoms 56
NP-Likeness 1.92

Literature References

PubMed DOI Target Context # Activities
31343875 10.1021/acs.jmedchem.9b00339 Protein kinase C (PKC) 2
31343875 10.1021/acs.jmedchem.9b00339 MT4 1

Data from ChEMBL 36 via Core Engine