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Compound Detail

CHEMBL371493

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CN1C2CCC1[C@@H](Cc1ccccc1)C[C@H]2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371493
Phase Preclinical
Structure Type MOL
InChI Key IVOKVSCIEVHNAL-FDRBHKFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

305.5
MW (Da)
4.57
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.80
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 C22H27N
MW 305.47
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
16112864 10.1016/j.bmcl.2005.07.032 Synaptic vesicular amine transporter 3

Data from ChEMBL 36 via Core Engine