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Compound Detail

CHEMBL397092

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Brc1cccc(-c2cnc3ccccc3c2)c1

Basic Information

ChEMBL ID CHEMBL397092
Phase Preclinical
Structure Type MOL
InChI Key IZZKXRUCFMLTKZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
4.66
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10BrN
MW 284.16
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.16

Activity Summary

Kd 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Baculoviral IAP repeat-containing protein 5
CHEMBL5989
Kd 5.0 5.0 10000.0 1

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

Data from ChEMBL 36 via Core Engine