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Compound Detail

CHEMBL3654199

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NC(N)=NC(=O)N1CCc2c(F)ccc(-c3c(F)cccc3F)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3654199
Phase Preclinical
Structure Type MOL
InChI Key IKACHYWQMBLVRI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.52
ALogP
1
HBA
2
HBD
84.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F3N4O
MW 348.33
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.66

Activity Summary

Ki 1 meas. best 8.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 5A
CHEMBL3426
 Ki 8.96 8.96 1.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 5A Ki = 1.1 nM 8.96 Binding Assay: A test compound and 150 uM of a DMSO solution of 5-carboxamide tr... -

Data from ChEMBL 36 via Core Engine