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Compound Detail

CHEMBL173835

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OCC1C2CC3CCC1N3C/C2=C\c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL173835
Phase Preclinical
Structure Type MOL
InChI Key MUJMCJPASLGZMK-UXBLZVDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
2.61
ALogP
3
HBA
1
HBD
23.5
PSA (Ų)
0.88
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 C15H19NOS
MW 261.39
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.39

Literature References

PubMed DOI Target Context # Activities
11909701 10.1016/s0960-894x(02)00103-8 Sodium-dependent dopamine transporter 1
11909701 10.1016/s0960-894x(02)00103-8 Sodium-dependent serotonin transporter 1
11909701 10.1016/s0960-894x(02)00103-8 Norepinephrine transporter 1
11909701 10.1016/s0960-894x(02)00103-8 Monoamine transporters; serotonin & dopamine 1
11909701 10.1016/s0960-894x(02)00103-8 Monoamine transporters; Norepininephrine & dopamine 1
11909701 10.1016/s0960-894x(02)00103-8 Monoamine transporters; Norepinephrine & serotonin 1

Data from ChEMBL 36 via Core Engine