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

CHEMBL4059505

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
C=C(C)CCC(CC12CC3C(C=C(C)C)C(C(=O)c4ccc(O)c(O)c4)(CC(CC=C(C)C)(C1=O)C3(C)C)C2=O)C(=C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4059505
Phase Preclinical
Structure Type MOL
InChI Key QCPFCXPCBUSBBM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

586.8
MW (Da)
8.72
ALogP
5
HBA
2
HBD
91.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H50O5
MW 586.81
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 1.88

Literature References

PubMed DOI Target Context # Activities
28729053 10.1016/j.bmcl.2017.06.073 U-251 1
28729053 10.1016/j.bmcl.2017.06.073 MDA-MB-231 1
28729053 10.1016/j.bmcl.2017.06.073 NIH3T3 1

Data from ChEMBL 36 via Core Engine