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Compound Detail

CHEMBL3692310

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CC(C)[C@H](CO)NCc1nc(N2CCc3cccc(F)c3C2)ccc1F

Basic Information

ChEMBL ID CHEMBL3692310
Phase Preclinical
Structure Type MOL
InChI Key NUCYRGNWZFPVII-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
3.03
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.83
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 C20H25F2N3O
MW 361.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 3
CHEMBL5522
IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine