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Compound Detail

CHEMBL1492152

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COc1ccc(-c2csc(NC(=O)CSc3nc[nH]n3)n2)cc1OC

Basic Information

ChEMBL ID CHEMBL1492152
Phase Preclinical
Structure Type MOL
InChI Key MOJJOJXUACHANH-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.68
ALogP
8
HBA
2
HBD
102.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O3S2
MW 377.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.23

Activity Summary

EC50 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Psychosine receptor
CHEMBL3714081
EC50 6.3 6.3 501.2 1
Unchecked
CHEMBL612545
EC50 5.2 5.2 6309.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26550826 10.1038/nature15699 Psychosine receptor 5
26550826 10.1038/nature15699 Unchecked 5

Data from ChEMBL 36 via Core Engine