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Compound Detail

CHEMBL1230221

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O=C(NS(=O)(=O)c1ccc(NCCSc2ccccc2)c([N+](=O)[O-])c1)c1ccc(-c2ccc3sc(CCc4ccccc4)nc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1230221
Phase Preclinical
Structure Type MOL
InChI Key KYLSTDPZEIQYFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

694.9
MW (Da)
7.98
ALogP
9
HBA
2
HBD
131.3
PSA (Ų)
0.05
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H30N4O5S3
MW 694.86
Aromatic Rings 6
Heavy Atoms 48
NP-Likeness -1.66

Literature References

PubMed DOI Target Context # Activities
25797160 10.1016/j.bmc.2015.02.060 Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine