CLOMIPRAMINE

Search structure
Synonyms:
Status: Approved (1989)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AA04
UNII: NUV44L116D

Structure
InChI Key GDLIGKIOYRNHDA-UHFFFAOYSA-N
Smile CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21
InChI
InChI=1S/C19H23ClN2/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23ClN2
Molecular Weight 314.86
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

Primary Target
NET
SERT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 12300-15200 - 6500-7000 -
Ion channel Ligand-gated ion channel 5HT3 receptor
- 5 - - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 11600 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 77
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0 - 51 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 56 92
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 0 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 5 - 112 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 20-90 - 0 5-100
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 19300 - - 85
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 37400 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Schizophrenia 3 D012559 ClinicalTrials
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 303-49-1
ChEBI 47780
ChEMBL CHEMBL415
DrugBank DB01242
DrugCentral 701
EPA CompTox DTXSID6022844
FDA SRS NUV44L116D
Human Metabolome Database HMDB0015372
Guide to Pharmacology 2398
KEGG C06918
PDB CXX
PharmGKB PA449048
PubChem 2801
SureChEMBL SCHEMBL35423
ZINC ZINC000000020248
CONTENTS