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Compound Detail

CHEMBL37744

ZIMELDINE
💊 Approved Drug
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💊 Approved Drug
CN(C)C/C=C(/c1ccc(Br)cc1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL37744
Name ZIMELDINE
Phase Approved
Structure Type MOL
InChI Key OYPPVKRFBIWMSX-SXGWCWSVSA-N

Known Names

Cis-zimelidine Normud Zelmid Zimeldina Zimeldine Zimelidine
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

317.2
MW (Da)
3.84
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Achiral

Flags

Withdrawn Natural Product
USAN Year 1977

Extended Properties

Molecular Formula C16H17BrN2
MW 317.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.70

Indications

Depressive Disorder

ATC Classification

N06AB02
zimeldine
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOANALEPTICS

Activity Summary

IC50 10 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 7.0 6.25 100.0 2
Mus musculus
CHEMBL375
 IC50 5.77 5.195 1700.0 2
Sodium-dependent serotonin transporter
CHEMBL313
 IC50 5.35 5.28 4500.0 2
Norepinephrine transporter
CHEMBL304
 IC50 5.21 5.065 6100.0 2
Sodium-dependent dopamine transporter
CHEMBL338
 IC50 4.37 4.37 43000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 100.0 nM 7.0 In vitro inhibition of the accumulation of (-)-[3H]-5-HT in synaptosomes from th... 2966246
Mus musculus IC50 = 1700.0 nM 5.77 In vitro inhibition of the accumulation of (-)-[3H]-5-HT in slices from the midd... 2966246
Rattus norvegicus IC50 = 3200.0 nM 5.5 In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in synaptosome... 2966246
Sodium-dependent serotonin transporter IC50 = 4500.0 nM 5.35 Inhibition of 5-HT uptake in synaptosomal preparation from rat corpus striatum, ... 6492080
Norepinephrine transporter IC50 = 6100.0 nM 5.21 In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brai... 6458703
Sodium-dependent serotonin transporter IC50 = 6100.0 nM 5.21 In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices 6458703
Norepinephrine transporter IC50 = 12000.0 nM 4.92 Inhibition of norepinephrine uptake in synaptosomal preparation fro rat hypothal... 6492080
Mus musculus IC50 = 24000.0 nM 4.62 In vitro inhibition of the accumulation of (-)-[3H]Norepinephrine in slices from... 2966246
Sodium-dependent dopamine transporter IC50 = 43000.0 nM 4.37 Inhibition of dopamine uptake in synaptosomal preparation in rat corpus striatum... 6492080

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
2966246 10.1021/jm00400a005 Mus musculus 4
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
2966246 10.1021/jm00400a005 Rattus norvegicus 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
12438524 10.1124/jpet.102.039255 ATP-dependent translocase ABCB1 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
17428028 10.1021/ci6004542 Phospholipidosis 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
6458703 10.1021/jm00144a025 Sodium-dependent serotonin transporter 2
6458703 10.1021/jm00144a025 Norepinephrine transporter 2
2966246 10.1021/jm00400a005 Unchecked 2

Data from ChEMBL 36 via Core Engine