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Compound Detail

CHEMBL2398100

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Oc1nc2ccc(Br)cc2s1

Basic Information

ChEMBL ID CHEMBL2398100
Phase Preclinical
Structure Type MOL
InChI Key HECJMTPEVWQFCY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

230.1
MW (Da)
2.76
ALogP
3
HBA
1
HBD
33.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H4BrNOS
MW 230.09
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.76

Activity Summary

EC50 1 meas. best 4.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5'-AMP-activated protein kinase catalytic subunit alpha-2
CHEMBL4637
EC50 4.14 4.14 72900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23750537 10.1021/jm4001488 5'-AMP-activated protein kinase catalytic subunit alpha-2 5
23750537 10.1021/jm4001488 Unchecked 2

Data from ChEMBL 36 via Core Engine