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Compound Detail

CHEMBL1784320

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COc1c(Br)cc(Br)cc1-c1[nH]c(Br)c(Br)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784320
Phase Preclinical
Structure Type MOL
InChI Key REWOBJZQSIJHOR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

567.7
MW (Da)
6.50
ALogP
1
HBA
1
HBD
25.0
PSA (Ų)
0.44
QED
2
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H6Br5NO
MW 567.69
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.83

Activity Summary

IC50 1 meas. best 4.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.04 4.04 91900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 91900.0 nM 4.04 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