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Compound Detail

CHEMBL236619

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N#Cc1c(-c2cc(C(F)(F)F)ccc2Cl)cc(-c2cc(Br)ccc2O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236619
Phase Preclinical
Structure Type MOL
InChI Key DGYHZYBFRYECEG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.6
MW (Da)
5.72
ALogP
3
HBA
2
HBD
76.9
PSA (Ų)
0.50
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 C19H9BrClF3N2O2
MW 469.64
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.06

Activity Summary

Kd 1 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Baculoviral IAP repeat-containing protein 5
CHEMBL5989
 Kd 6.31 6.31 490.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Baculoviral IAP repeat-containing protein 5 Kd = 490.0 nM 6.31 Binding affinity to human survivin expressed in Escherichia coli BL21 cells afte... 17391963

Literature References

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

Data from ChEMBL 36 via Core Engine