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Compound Detail

CHEMBL250881

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C[C@@H](N)Cc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250881
Phase Preclinical
Structure Type MOL
InChI Key MLBHFBKZUPLWBD-SSDOTTSWSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

203.2
MW (Da)
2.60
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.79
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 C10H12F3N
MW 203.21
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.90

Pharmacokinetic Data

Parameter Value Units Species
F 85.0 % Homo sapiens

Literature References

PubMed DOI Target Context # Activities
22037049 10.1016/j.bmc.2011.10.007 Trace amine-associated receptor 1 2
17870541 10.1016/j.bmc.2007.08.060 Homo sapiens 1

Data from ChEMBL 36 via Core Engine