clorotepine Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
tricyclic compounds 3912 13448-22-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • clorotepine
  • (+/-)-Clothepin
  • octoclothepin
  • chlorothepin
  • clotepin
  • clothepin
  • octoclothepine
major tranquilizer with action similar to those of the phenothiazines; used in schizophrenic & manic psychoses; minor decriptor (77-86); on-line & INDEX MEDICUS search DIBENZOTHIEPINS (77-86); RN given refers to parent cpd without isomeric designation
  • Molecular weight: 344.90
  • Formula: C19H21ClN2S
  • CLOGP: 5.59
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 0
  • TPSA: 6.48
  • ALOGS: -5.21
  • ROTB: 1

Drug dosage:

None

ADMET properties:

None

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

None

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.35 Basic
pKa2 1.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
5-hydroxytryptamine receptor 6 GPCR Ki 8.66 PDSP
D(3) dopamine receptor GPCR Ki 9.37 PDSP
D(4) dopamine receptor GPCR Ki 9.40 PDSP
D(2) dopamine receptor GPCR Ki 9.17 CHEMBL
5-hydroxytryptamine receptor 2C GPCR Ki 9.24 CHEMBL
Histamine H1 receptor GPCR Ki 9.72 CHEMBL
Trace amine-associated receptor 1 GPCR Ki 6.31 PDSP
Alpha-1B adrenergic receptor GPCR Ki 9.25 CHEMBL
Adrenergic receptor alpha-1 GPCR IC50 9.74 CHEMBL
D(3) dopamine receptor GPCR Ki 8.62 CHEMBL
Serotonin 2 (5-HT2) receptor GPCR IC50 9.24 CHEMBL
Dopamine receptor GPCR IC50 8.52 CHEMBL
Alpha-1A adrenergic receptor GPCR Ki 9.18 CHEMBL
D(1A) dopamine receptor GPCR Ki 8.64 CHEMBL
Alpha-1D adrenergic receptor GPCR Ki 9.11 CHEMBL
D(2) dopamine receptor GPCR Ki 9.30 CHEMBL
5-hydroxytryptamine receptor 2A GPCR Ki 9.64 CHEMBL

External reference:

IDSource
CHEMBL64249 ChEMBL_ID
E65W20MU7A UNII
3423 INN_ID
C100288 MESH_SUPPLEMENTAL_RECORD_UI
CHEBI:135459 CHEBI
1238 PUBCHEM_CID

Pharmaceutical products:

None