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Compound Detail

CHEMBL11183

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Cc1nccn1N[C@H]1c2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)(C)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11183
Phase Preclinical
Structure Type MOL
InChI Key MXQCAHJUTSCUKK-RBUKOAKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
2.18
ALogP
7
HBA
2
HBD
96.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28N4O4S
MW 420.54
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.61

Literature References

PubMed DOI Target Context # Activities
14971888 10.1021/jm030291x Mitochondrial complex V; ATP synthase 1
14971888 10.1021/jm030291x Unchecked 1

Data from ChEMBL 36 via Core Engine