Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL522595

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522595
Phase Preclinical
Structure Type MOL
InChI Key BVJDDPRBYGBPKD-TVZSAIOCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
6.76
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H48O3
MW 456.71
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.07

Literature References

PubMed DOI Target Context # Activities
19285391 10.1016/j.bmcl.2009.02.076 ADMET 2
17614290 10.1016/j.bmc.2007.06.033 A549 1
17614290 10.1016/j.bmc.2007.06.033 DLD-1 1
17614290 10.1016/j.bmc.2007.06.033 ADMET 1
19285391 10.1016/j.bmcl.2009.02.076 PC-3 1
19285391 10.1016/j.bmcl.2009.02.076 MCF7 1
19285391 10.1016/j.bmcl.2009.02.076 DLD-1 1
19285391 10.1016/j.bmcl.2009.02.076 A549 1

Data from ChEMBL 36 via Core Engine