CLOMIPRAMINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 2LXW0L6GWJ
Parent Compound: CLOMIPRAMINE

Structure
InChI Key WIMWMKZEIBHDTH-UHFFFAOYSA-N
Smile CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl
InChI
InChI=1S/C19H23ClN2.ClH/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22;/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H24Cl2N2
Molecular Weight 351.32
AlogP 4.53
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Serotonin transporter inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 11.79
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 0.13-7.48
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 43.58
Unclassified protein
- 37800 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 1 D003866 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.23
Psychiatric disorders
16.38
General disorders and administration site conditions
10.11
Injury, poisoning and procedural complications
7.84
Gastrointestinal disorders
7.19
Investigations
7.19
Musculoskeletal and connective tissue disorders
4.95
Cardiac disorders
4.55
Metabolism and nutrition disorders
3.83
Respiratory, thoracic and mediastinal disorders
3.39
Vascular disorders
3.32
Pregnancy, puerperium and perinatal conditions
2.1

Cross References

Resources Reference
ChEBI 3755
ChEMBL CHEMBL1200710
EPA CompTox DTXSID3042633
FDA SRS 2LXW0L6GWJ
Guide to Pharmacology 2398
KEGG C06918
PDB CXX
PubChem 657299
SureChEMBL SCHEMBL41747
ZINC ZINC00020248
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