Compound Detail

CHEMBL4558004

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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@@H](O)[C@@]1(O)[C@H]4[C@H]([C@H](C)[C@@H]1O)[C@H](C)CCCCCC[C@H]5O)O2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4558004
Phase	Preclinical
Structure Type	MOL
InChI Key	DKIOSHVXYALWQK-CBTRKQJLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

670.8

MW (Da)

2.46

ALogP

HBA

HBD

167.7

PSA (Å²)

0.18

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C37H50O11
MW	670.80
Aromatic Rings	1
Heavy Atoms	48
NP-Likeness	2.23

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