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Compound Detail

CHEMBL56990

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CCCN(CCCCN1C(=O)c2ccccc2S1(=O)=O)C1COc2cccc(OC)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL56990
Phase Preclinical
Structure Type MOL
InChI Key YPAYGSNPZFENEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

458.6
MW (Da)
3.34
ALogP
6
HBA
0
HBD
76.2
PSA (Ų)
0.54
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 C24H30N2O5S
MW 458.58
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80990-2 5-hydroxytryptamine receptor 1A 1
- 10.1016/S0960-894X(01)80990-2 5-hydroxytryptamine receptor 1B 1
- 10.1016/S0960-894X(01)80990-2 Serotonin 2 (5-HT2) receptor 1

Data from ChEMBL 36 via Core Engine