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

CHEMBL5402975

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@H]1CCC/C=C/[C@@H]2C[C@H](OC(=O)CCC(=O)OCCOc3ccc(-c4cc(=S)ss4)cc3)C[C@H]2[C@H](O)/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5402975
Phase Preclinical
Structure Type MOL
InChI Key GNTGCEUWHNASKP-YBLFCQNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

632.8
MW (Da)
6.44
ALogP
11
HBA
1
HBD
108.4
PSA (Ų)
0.08
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36O8S3
MW 632.82
Aromatic Rings 2
Heavy Atoms 42
NP-Likeness 1.01

Literature References

PubMed DOI Target Context # Activities
37329677 10.1016/j.bmc.2023.117380 A549 1
37329677 10.1016/j.bmc.2023.117380 DU-145 1
37329677 10.1016/j.bmc.2023.117380 A-375 1
37329677 10.1016/j.bmc.2023.117380 HeLa 1
37329677 10.1016/j.bmc.2023.117380 HepG2 1
37329677 10.1016/j.bmc.2023.117380 MDA-MB-231 1
37329677 10.1016/j.bmc.2023.117380 L02 1

Data from ChEMBL 36 via Core Engine