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Compound Detail

CHEMBL1164135

N-METHYL NORTOPSENTIN A
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Cn1c(-c2cn(C)c3cc(Br)ccc23)cnc1-c1cn(C)c2cc(Br)ccc12

Basic Information

ChEMBL ID CHEMBL1164135
Name N-METHYL NORTOPSENTIN A
Phase Preclinical
Structure Type MOL
InChI Key WXFQGCKBFUHIBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.2
MW (Da)
6.26
ALogP
4
HBA
0
HBD
27.7
PSA (Ų)
0.28
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 C22H18Br2N4
MW 498.22
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
IC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 800.0 nM 6.1 Cytotoxicity against mouse P388 cells 20472437

Literature References

PubMed DOI Target Context # Activities
20472437 10.1016/j.bmc.2010.04.061 P388 1

Data from ChEMBL 36 via Core Engine