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Compound Detail

CHEMBL384740

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O=S(=O)(c1ccc(Br)cc1)N1CCCCCC1

Basic Information

ChEMBL ID CHEMBL384740
Phase Preclinical
Structure Type MOL
InChI Key CRHZHJNOPUDTDM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.2
MW (Da)
3.01
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16BrNO2S
MW 318.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.83

Activity Summary

EC50 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cavia porcellus
CHEMBL369
EC50 6.44 6.44 360.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cavia porcellus EC50 = 360.0 nM 6.44 Negative inotropic activity in guinea pig left atrium 16913709

Literature References

PubMed DOI Target Context # Activities
16913709 10.1021/jm0604373 Cavia porcellus 4

Data from ChEMBL 36 via Core Engine