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Compound Detail

CHEMBL256140

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O=C(Cc1csc2ccc(Cl)cc12)N1CC[C@H](c2ccccc2)C[C@@H]1CN1CCCC1

Basic Information

ChEMBL ID CHEMBL256140
Phase Preclinical
Structure Type MOL
InChI Key OZRGMSXVRJQDCT-NZQKXSOJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.1
MW (Da)
5.97
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.48
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 C26H29ClN2OS
MW 453.05
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.18

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL3764
Ki 6.7 6.7 199.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18420409 10.1016/j.bmcl.2008.03.078 Urotensin-2 receptor 1

Data from ChEMBL 36 via Core Engine