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Compound Detail

CHEMBL1507054

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Cl.NCCc1c[nH]c2ccc(F)cc12

Basic Information

ChEMBL ID CHEMBL1507054
Phase Preclinical
Structure Type MOL
InChI Key YZAWADGJXKCLTI-UHFFFAOYSA-N
Parent Compound CHEMBL275628
Active Moiety CHEMBL275628
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

178.2
MW (Da)
1.81
ALogP
1
HBA
2
HBD
41.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12ClFN2
MW 214.67
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.65

Activity Summary

EC50 1 meas. best 5.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
EC50 5.65 5.65 2219.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 1A EC50 = 2219.0 nM 5.65 PUBCHEM_BIOASSAY: Dose Response assay for agonists of 5-Hydroxytryptamine (Serot... -

Data from ChEMBL 36 via Core Engine