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Compound Detail

CHEMBL2380982

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CN(C)C[C@@H]1C[C@H]1c1ccc2[nH]ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380982
Phase Preclinical
Structure Type MOL
InChI Key ZYTYBTITDORGHF-STQMWFEESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.83
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2
MW 214.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.01

Literature References

PubMed DOI Target Context # Activities
23578689 10.1016/j.bmcl.2013.03.045 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine