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Compound Detail

CHEMBL344669

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CCCCSc1nsnc1C1CN2CCC[C@@H]1C2

Basic Information

ChEMBL ID CHEMBL344669
Phase Preclinical
Structure Type MOL
InChI Key CZKNQABKYRAKQE-NFJWQWPMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.5
MW (Da)
3.24
ALogP
5
HBA
0
HBD
29.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H21N3S2
MW 283.47
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.38

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 6.1 nM 8.21 In vitro inhibition of [3H]Oxo-Mas binding to M1 and M4 receptors in rat brain h... 9784113

Literature References

PubMed DOI Target Context # Activities
9784113 10.1021/jm981048e Rattus norvegicus 2
9784113 10.1021/jm981048e Unchecked 1

Data from ChEMBL 36 via Core Engine