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Compound Detail

CHEMBL393124

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N#Cc1c(-c2cc(Cl)ccc2Cl)cc(-c2cc(Br)ccc2O)[nH]c1=O

Basic Information

ChEMBL ID CHEMBL393124
Phase Preclinical
Structure Type MOL
InChI Key OZBHFRZALVOEJM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

436.1
MW (Da)
5.36
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H9BrCl2N2O2
MW 436.09
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.95

Activity Summary

Kd 2 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Baculoviral IAP repeat-containing protein 5
CHEMBL5989
Kd 6.1 6.095 800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17391963 10.1016/j.bmcl.2007.03.042 Baculoviral IAP repeat-containing protein 5 1
19836860 10.1016/j.ejmech.2009.09.029 Baculoviral IAP repeat-containing protein 5 1

Data from ChEMBL 36 via Core Engine