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Compound Detail

CHEMBL218222

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COC1(Cc2ccccc2)CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(NC(C)(C)CSc4ccccc4)c([N+](=O)[O-])c3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218222
Phase Preclinical
Structure Type MOL
InChI Key REQAXYXBBHHBCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

688.9
MW (Da)
6.92
ALogP
9
HBA
2
HBD
130.9
PSA (Ų)
0.09
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 C36H40N4O6S2
MW 688.87
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -1.00

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