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Compound Detail

CHEMBL218223

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CC(C)(CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(Cc4ccccc4-c4ccccc4)CC3)cc2)cc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL218223
Phase Preclinical
Structure Type MOL
InChI Key QASBRWUYQCIPKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

735.9
MW (Da)
7.69
ALogP
9
HBA
2
HBD
124.9
PSA (Ų)
0.07
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 C40H41N5O5S2
MW 735.93
Aromatic Rings 5
Heavy Atoms 52
NP-Likeness -1.36

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