Compound Detail

CHEMBL435354

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CCCCCCCCCCCCOC(=O)[C@@H](C)[C@@]1(O)[C@@H](O[C@@H]2OC[C@H](O)[C@H](OCCOC(=O)c3ccc(OC)cc3)[C@H]2OC(=O)c2ccc(OC)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL435354
Phase	Preclinical
Structure Type	MOL
InChI Key	JLLUIYHULOHKQW-AQBNSJBTSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

991.3

MW (Da)

9.34

ALogP

HBA

HBD

185.7

PSA (Å²)

0.04

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C57H82O14
MW	991.27
Aromatic Rings	2
Heavy Atoms	71
NP-Likeness	1.25

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