Compound Detail

CHEMBL4585270

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

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/c1ccc(OC)cc1)[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	CHEMBL4585270
Phase	Preclinical
Structure Type	MOL
InChI Key	OKUINMMISLBDFA-PEICNJQSSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

935.1

MW (Da)

6.60

ALogP

HBA

HBD

189.0

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Unknown
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C54H62O14
MW	935.08
Aromatic Rings	3
Heavy Atoms	68
NP-Likeness	1.77

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