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Compound Detail

CHEMBL24835

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CN(C)CC[C@@H]1CN(C)C(=S)c2cc(Cl)cnc2O1

Basic Information

ChEMBL ID CHEMBL24835
Phase Preclinical
Structure Type MOL
InChI Key MSWSTFGMFSCANV-SNVBAGLBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.8
MW (Da)
2.06
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.80
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 C13H18ClN3OS
MW 299.83
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 8.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H1 receptor
CHEMBL3943
IC50 8.72 8.72 1.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1673158 10.1021/jm00108a012 Cavia porcellus 3
1673158 10.1021/jm00108a012 Histamine H1 receptor 1

Data from ChEMBL 36 via Core Engine