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Compound Detail

CHEMBL1523325

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O=C(O)C1CCCCC1C(=O)NCCc1c[nH]c2ccccc12

Basic Information

ChEMBL ID CHEMBL1523325
Phase Preclinical
Structure Type MOL
InChI Key URCMCAGJCXKTIR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.72
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O3
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.39

Activity Summary

EC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
EC50 4.46 4.46 34800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1A EC50 = 34800.0 nM 4.46 PUBCHEM_BIOASSAY: Dose Response assay for agonists of 5-Hydroxytryptamine (Serot... -

Data from ChEMBL 36 via Core Engine