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Compound Detail

CHEMBL1351018

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O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1

Basic Information

ChEMBL ID CHEMBL1351018
Phase Preclinical
Structure Type MOL
InChI Key DXEGYHYXEIIENQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

335.2
MW (Da)
3.89
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15BrN2O2
MW 335.20
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -2.17

Activity Summary

IC50 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 6.03 6.03 932.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine