Compound Detail

CHEMBL4586553

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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)C(C)(C)CC(=O)O)[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	CHEMBL4586553
Phase	Preclinical
Structure Type	MOL
InChI Key	ZTXYFRBXYFXAOV-XVIGXLLCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

903.0

MW (Da)

5.38

ALogP

HBA

HBD

217.1

PSA (Å²)

0.10

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H62O15
MW	903.03
Aromatic Rings	2
Heavy Atoms	65
NP-Likeness	1.92

Literature References

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

Data from ChEMBL 36 via Core Engine