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Compound Detail

CHEMBL287064

NOMELIDINE
🧪 Phase II
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🧪 Phase II
CNC/C=C(/c1ccc(Br)cc1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL287064
Name NOMELIDINE
Phase Phase II
Structure Type MOL
InChI Key AZFZKANGXPSDEA-NVNXTCNLSA-N

Known Names

Nomelidina Nomelidine
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
2
Known Names

Molecular Properties

303.2
MW (Da)
3.50
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C15H15BrN2
MW 303.20
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.44

Activity Summary

IC50 8 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.42 7.02 38.0 2
Sodium-dependent serotonin transporter
CHEMBL313
 IC50 7.0 6.3 100.0 2
Mus musculus
CHEMBL375
 IC50 7.0 6.41 100.0 2
Norepinephrine transporter
CHEMBL304
 IC50 6.1 5.96 800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 38.0 nM 7.42 In vitro inhibition of the accumulation of (-)-[3H]-5-HT in synaptosomes from th... 2966246
Mus musculus IC50 = 100.0 nM 7.0 In vitro inhibition of the accumulation of (-)-[3H]-5-HT in slices from the midd... 2966246
Sodium-dependent serotonin transporter IC50 = 100.0 nM 7.0 In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices 6458703
Rattus norvegicus IC50 = 240.0 nM 6.62 In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in synaptosome... 2966246
Norepinephrine transporter IC50 = 800.0 nM 6.1 In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... 6458703
Mus musculus IC50 = 1500.0 nM 5.82 In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in slices from... 2966246
Norepinephrine transporter IC50 = 1500.0 nM 5.82 In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... 6458703
Sodium-dependent serotonin transporter IC50 = 2500.0 nM 5.6 In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices 6458703

Literature References

PubMed DOI Target Context # Activities
2966246 10.1021/jm00400a005 Mus musculus 4
6458703 10.1021/jm00144a025 Norepinephrine transporter 4
6458703 10.1021/jm00144a025 Sodium-dependent serotonin transporter 4
2966246 10.1021/jm00400a005 Rattus norvegicus 2
2966246 10.1021/jm00400a005 Unchecked 2

Data from ChEMBL 36 via Core Engine