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

CHEMBL5073247

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
COc1ccc(Oc2ccccc2-c2ccsc2S(=O)(=O)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5073247
Phase Preclinical
Structure Type MOL
InChI Key QKMJWORVKYVGDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

630.2
MW (Da)
6.58
ALogP
7
HBA
1
HBD
80.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28ClN3O5S3
MW 630.21
Aromatic Rings 4
Heavy Atoms 41
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
34228434 10.1021/acs.jmedchem.1c00690 HeLa 1
34228434 10.1021/acs.jmedchem.1c00690 HL-60 1
34228434 10.1021/acs.jmedchem.1c00690 RS4-11 1
34228434 10.1021/acs.jmedchem.1c00690 HEK-293T 1
34228434 10.1021/acs.jmedchem.1c00690 Bcl-2-like protein 1 1
34228434 10.1021/acs.jmedchem.1c00690 Apoptosis regulator Bcl-2 1
34228434 10.1021/acs.jmedchem.1c00690 Induced myeloid leukemia cell differentiation protein Mcl-1 1

Data from ChEMBL 36 via Core Engine