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Compound Detail

CHEMBL1738810

TRIBROMODICHLOROPSEUDILIN
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Oc1c(Cl)cc(Cl)cc1-c1[nH]c(Br)c(Br)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1738810
Name TRIBROMODICHLOROPSEUDILIN
Phase Preclinical
Structure Type MOL
InChI Key KMUJMUQZYHMNDR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

464.8
MW (Da)
5.98
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.53
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H4Br3Cl2NO
MW 464.77
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness 0.63

Activity Summary

IC50 1 meas. best 4.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.33 4.33 47200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 47200.0 nM 4.33 Inhibition of Dictyostelium discoideum myosin 2 motor domain-activated ATPase ac... 21534527

Literature References

PubMed DOI Target Context # Activities
21534527 10.1021/jm200259f Unchecked 1

Data from ChEMBL 36 via Core Engine