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Compound Detail

CHEMBL2071000

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Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071000
Phase Preclinical
Structure Type MOL
InChI Key KSJPANOFHAQMDD-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

486.6
MW (Da)
4.21
ALogP
7
HBA
1
HBD
122.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O5S2
MW 486.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.30

Literature References

PubMed DOI Target Context # Activities
22910039 10.1016/j.bmcl.2012.07.060 Potassium voltage-gated channel subfamily KQT member 1 1

Data from ChEMBL 36 via Core Engine