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Compound Detail

CHEMBL1933954

NORTOPSENTINE B
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Brc1ccc2c(-c3nc(-c4cc5ccccc5[nH]4)c[nH]3)c[nH]c2c1

Basic Information

ChEMBL ID CHEMBL1933954
Name NORTOPSENTINE B
Phase Preclinical
Structure Type MOL
InChI Key OMOAXZHUTLMGHL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.2
MW (Da)
5.47
ALogP
1
HBA
3
HBD
60.3
PSA (Ų)
0.38
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 C19H13BrN4
MW 377.25
Aromatic Rings 5
Heavy Atoms 24
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
IC50 5.35 5.35 4500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 4500.0 nM 5.35 Cytotoxicity against mouse P388 cells 22123320

Literature References

PubMed DOI Target Context # Activities
22123320 10.1016/j.bmcl.2011.11.031 P388 1

Data from ChEMBL 36 via Core Engine