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Compound Detail

CHEMBL477586

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CC(C)C(=O)N(Cc1ccc(F)cc1F)[C@H]1CCNC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL477586
Phase Preclinical
Structure Type MOL
InChI Key ZBFNMJAOUOICQA-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.3
MW (Da)
2.31
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20F2N2O
MW 282.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
18625557 10.1016/j.bmcl.2008.06.078 Sodium-dependent serotonin transporter 1
18625557 10.1016/j.bmcl.2008.06.078 Sodium-dependent noradrenaline transporter 1
18625557 10.1016/j.bmcl.2008.06.078 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine