Details of the Drug

General Information of Drug (ID: DMSOQK1)

Drug Name
Chloroprocaine
Synonyms
Chloroprocain; Chloroprocainum; Chlorprocaine; Chlorprocainum; Cloroprocaina; Halestyn; Nesacaine; Piocaine; Chloroprocaine [INN]; Chloroprocaine hydrochloride; Nesacaine MPF; Chlor-procaine; Chloroprocaine (INN); Chloroprocainum [INN-Latin]; Cloroprocaina [INN-Spanish]; Nesacaine (TN); Nesacaine-Ce; Nesacaine-MPF (TN); Benzoic acid, 4-amino-2-chloro-, 2-(diethylamino)ethyl ester; 2-(Diethylamino)ethyl 4-amino-2-chlorobenzoate; 2-(Diethylaminoethyl)-4-amino-2-chlorobenzoate; 2-Chloroprocaine; 2-diethylaminoethyl 4-amino-2-chlorobenzoate; 4-amino-2-chlorobenzoic acid 2-(diethylamino)ethyl ester
Indication
Disease Entry ICD 11 Status REF
Anaesthesia 9A78.6 Approved [1], [2]
Therapeutic Class
Anesthetics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 270.75
Topological Polar Surface Area (xlogp) 2.9
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Half-life
The concentration or amount of drug in body reduced by one-half in 21 +/- 2 seconds [3]
Metabolism
The drug is metabolized via plasma [4]
Chemical Identifiers
Formula
C13H19ClN2O2
IUPAC Name
2-(diethylamino)ethyl 4-amino-2-chlorobenzoate
Canonical SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14/h5-6,9H,3-4,7-8,15H2,1-2H3
InChIKey
VDANGULDQQJODZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
8612
ChEBI ID
CHEBI:3636
CAS Number
133-16-4
DrugBank ID
DB01161
TTD ID
D07NAJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium pump subunit alpha-1 (ATP1A1) TTWK8D0 AT1A1_HUMAN Blocker [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Anaesthesia
ICD Disease Classification 9A78.6
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Sodium pump subunit alpha-1 (ATP1A1) DTT ATP1A1 4.66E-01 1.00E-02 0.06
Sodium pump subunit alpha-1 (ATP1A1) DTT ATP1A1 3.31E-01 -0.03 -0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7145).
2 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (ANDA) 040273.
3 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
4 FDA approval: ado-trastuzumab emtansine for the treatment of patients with HER2-positive metastatic breast cancer. Clin Cancer Res. 2014 Sep 1;20(17):4436-41.
5 Inhibition of the Na,K-ATPase of canine renal medulla by several local anesthetics. Pharmacol Res. 2001 Apr;43(4):399-403.
6 The fight against drug-resistant malaria: novel plasmodial targets and antimalarial drugs. Curr Med Chem. 2008;15(2):161-71.
7 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
8 Almitrine, a new kind of energy-transduction inhibitor acting on mitochondrial ATP synthase. Biochim Biophys Acta. 1989 Aug 3;975(3):325-9.
9 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
10 The inhibitory effect of aluminium on the (Na+/K+)ATPase activity of rat brain cortex synaptosomes. J Inorg Biochem. 2003 Sep 15;97(1):143-50.
11 Early downregulation of Mcl-1 regulates apoptosis triggered by cardiac glycoside UNBS1450. Cell Death Dis. 2015 Jun 11;6:e1782.
12 17beta-O-Aminoalkyloximes of 5beta-androstane-3beta,14beta-diol with digitalis-like activity: synthesis, cardiotonic activity, structure-activity r... J Med Chem. 2000 Jun 15;43(12):2332-49.