Compound Detail

CHEMBL234782

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C=CCO[C@@H]1[C@@H](OC(=O)c2ccc(OC)cc2)[C@H](O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@]2(O)[C@H](C)C(=O)OCCCCCCCCCCCC)OC[C@@H]1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL234782
Phase	Preclinical
Structure Type	MOL
InChI Key	XTZSEISYYVEPDI-ULUQJDEZSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

853.1

MW (Da)

8.66

ALogP

HBA

HBD

150.2

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H76O11
MW	853.15
Aromatic Rings	1
Heavy Atoms	61
NP-Likeness	1.47

Literature References

PubMed	DOI	Target Context	# Activities
17127060	10.1016/j.bmcl.2006.11.032	Jurkat	1
17127060	10.1016/j.bmcl.2006.11.032	RKO	1
17127060	10.1016/j.bmcl.2006.11.032	HeLa	1

Data from ChEMBL 36 via Core Engine