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Compound Detail

CHEMBL3692279

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CC(C)[C@H](CO)NCc1nc(N2CCC(C(F)(F)F)CC2)ccc1F

Basic Information

ChEMBL ID CHEMBL3692279
Phase Preclinical
Structure Type MOL
InChI Key QDWDQSZBEYQTOW-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
3.11
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25F4N3O
MW 363.40
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.17

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine