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Compound Detail

CHEMBL302285

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N[C@@H]1CC2CC1c1c2cccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL302285
Phase Preclinical
Structure Type MOL
InChI Key DWTIJUCLQLHTSN-PCWHVXPSSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
3.01
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12F3N
MW 227.23
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.12

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
3681889 10.1021/jm00395a005 Phenylethanolamine N-methyltransferase 1

Data from ChEMBL 36 via Core Engine