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Compound Detail

CHEMBL544428

MIANSERIN HYDROCHLORIDE
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CN1CCN2c3ccccc3Cc3ccccc3C2C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544428
Name MIANSERIN HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key YNPFMWCWRVTGKJ-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL6437
Active Moiety CHEMBL6437

Known Names

Bolvidon Mianserin hcl Mianserin hydrochloride Norval NSC-759590 ORG GB 94 ORG-GB 94 Tetramide
6
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
8
Known Names

Molecular Properties

264.4
MW (Da)
3.08
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -anserin
USAN Year 1968

Extended Properties

Molecular Formula C18H21ClN2
MW 300.83
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.64

Activity Summary

IC50 14 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cerebral cortex alpha adrenergic receptor
CHEMBL2111420
 IC50 8.22 7.48 6.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.72 6.72 190.0 1
Adrenergic receptor alpha
CHEMBL2094111
 IC50 5.92 5.92 1200.0 1
Histamine H2 receptor
CHEMBL2882
 IC50 5.42 5.42 3800.0 1
Plasmodium falciparum
CHEMBL364
 IC50 5.3 4.9857 5011.9 7
Unchecked
CHEMBL612545
 IC50 4.37 4.37 42800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cerebral cortex alpha adrenergic receptor IC50 = 6.0 nM 8.22 In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Sit... 6192241
Cerebral cortex alpha adrenergic receptor IC50 = 20.0 nM 7.7 In vitro binding affinity towards alpha-adrenoceptor of calf cortex membrane Sit... 6192241
NON-PROTEIN TARGET IC50 = 190.0 nM 6.72 In vitro antihistamine activity, by activation of guinea pig cerebral cortex ade... 6192241
Cerebral cortex alpha adrenergic receptor IC50 = 300.0 nM 6.52 In vitro binding affinity of alpha-adrenoceptor by interacting with high affinit... 6192241
Adrenergic receptor alpha IC50 = 1200.0 nM 5.92 In vitro binding affinity towards alpha-adreno ceptor of rat forebrain using [3H... 6192241
Histamine H2 receptor IC50 = 3800.0 nM 5.42 In vitro antihistamine activity by activation of 4-methylhistamine mediated by H... 6192241
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 12589.25 nM 4.9 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 42800.0 nM 4.37 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5058577 Fibroblast 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5058577 HEK-293T 304
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
- 10.6019/CHEMBL5058564 U2OS 6
6192241 10.1021/jm00362a006 Mus musculus 4
6192241 10.1021/jm00362a006 Rattus norvegicus 3
6192241 10.1021/jm00362a006 Cerebral cortex alpha adrenergic receptor 3
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 C5a anaphylatoxin chemotactic receptor 1 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2

Data from ChEMBL 36 via Core Engine