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Compound Detail

CHEMBL1200710

CLOMIPRAMINE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CN(C)CCCN1c2ccccc2CCc2ccc(Cl)cc21.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1200710
Name CLOMIPRAMINE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key WIMWMKZEIBHDTH-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL415
Active Moiety CHEMBL415

Known Names

Anafranil Anafranil sr Clomicalm Clomipramine hcl Clomipramine hydrochloride G 34586 G-34586 NSC-759323 Tranquax
4
Targets
15
Activities
2
Assay Types
0
PK Parameters
20
Publications
9
Known Names
2
Indications
1
Mechanisms

Molecular Properties

314.9
MW (Da)
4.53
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1989
Availability Prescription
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning
USAN Stem -pramine
USAN Year 1970

Extended Properties

Molecular Formula C19H24Cl2N2
MW 351.32
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.09

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin transporter inhibitor INHIBITOR Sodium-dependent serotonin transporter ✓ ✓

Indications

Obsessive-Compulsive Disorder Depressive Disorder

Drug Warnings

Black Box Warning
psychiatric toxicity
Country: United States

Activity Summary

IC50 12 meas. best 5.3
EC50 3 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 5.3 5.1286 5011.9 7
SARS-CoV-2
CHEMBL4303835
 IC50 5.25 5.185 5630.0 2
Unchecked
CHEMBL612545
 EC50 5.0 4.91 9890.0 3
Mitochondrial import inner membrane translocase subunit TIM10
CHEMBL1741194
 IC50 4.42 4.42 37800.0 1
Unchecked
CHEMBL612545
 IC50 4.15 4.15 70460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 5011.87 nM 5.3 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
SARS-CoV-2 IC50 = 5630.0 nM 5.25 IC50 determination at MOI 0.004 using CellTiter- Glo (CTG) assay, performed 3 da... -
SARS-CoV-2 IC50 = 7590.0 nM 5.12 IC50 determination at MOI 0.01 using CellTiter- Glo (CTG) assay, performed 3 day... -
Unchecked EC50 = 9890.0 nM 5.0 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Unchecked EC50 = 10348.0 nM 4.99 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
Unchecked EC50 = 18390.0 nM 4.74 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Mitochondrial import inner membrane translocase subunit TIM10 IC50 = 37800.0 nM 4.42 PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... -
Unchecked IC50 = 70460.0 nM 4.15 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -

Literature References

PubMed DOI Target Context # Activities
19734910 10.1038/nchembio.215 Plasmodium falciparum 7
22115837 10.1016/j.bmc.2011.10.075 No relevant target 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.1101/2020.03.25.008482 ADMET 2
- 10.1101/2020.03.25.008482 Vero C1008 2
- 10.1101/2020.03.25.008482 SARS-CoV-2 2
22115837 10.1016/j.bmc.2011.10.075 ADMET 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL4513141 Candida albicans 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine