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Compound Detail

CHEMBL306714

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c1ccc(-c2nc(SC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306714
Phase Preclinical
Structure Type MOL
InChI Key AWMGMAZKFOTOHY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
7.18
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N2S
MW 404.54
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
12127543 10.1016/s0960-894x(02)00348-7 Sodium-dependent dopamine transporter 1
12127543 10.1016/s0960-894x(02)00348-7 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine