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Compound Detail

CHEMBL493791

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COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493791
Phase Preclinical
Structure Type MOL
InChI Key XGUBAZOFXNMZNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
2.09
ALogP
7
HBA
1
HBD
105.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N4O5S
MW 434.52
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.84

Literature References

PubMed DOI Target Context # Activities
18456500 10.1016/j.bmc.2008.04.023 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine