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Compound Detail

CHEMBL1642406

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Cc1ccc(C(=CCCN(C)[C@H]2CCC[C@@H]2C(=O)O)c2ccc(C)s2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1642406
Phase Preclinical
Structure Type MOL
InChI Key FKSUMLNBISKZLZ-WMZOPIPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

389.6
MW (Da)
5.43
ALogP
4
HBA
1
HBD
40.5
PSA (Ų)
0.69
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27NO2S2
MW 389.59
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
21134748 10.1016/j.bmcl.2010.09.025 Sodium- and chloride-dependent GABA transporter 1 1

Data from ChEMBL 36 via Core Engine