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Compound Detail

CHEMBL563060

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CCNC[C@@H](O)[C@H](c1ccccc1)n1c(=O)n(C(C)C)c2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL563060
Phase Preclinical
Structure Type MOL
InChI Key IQUFPTOFVDDVOF-UXHICEINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
3.08
ALogP
5
HBA
2
HBD
59.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26FN3O2
MW 371.46
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
19722525 10.1021/jm900888c Sodium-dependent serotonin transporter 1
19722525 10.1021/jm900888c Sodium-dependent noradrenaline transporter 1
19722525 10.1021/jm900888c Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine