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]
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Therapeutic Class

Anesthetics

Affected Organisms

Humans and other mammals

ATC Code

N01BA04: Chloroprocaine

N01BA: Esters of aminobenzoic acid

N01B: ANESTHETICS, LOCAL

N01: ANESTHETICS

N: NERVOUS SYSTEM

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

270.75

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

ADMET Property

Half-life: The concentration or amount of drug in body reduced by one-half in 21 +/- 2 seconds [2]
Metabolism: The drug is metabolized via plasma []

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
UNII: 5YVB0POT2H
DrugBank ID: DB01161
TTD ID: D07NAJ

Combinatorial Drugs (CBD)

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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	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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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	Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3	Inhibition of the Na,K-ATPase of canine renal medulla by several local anesthetics. Pharmacol Res. 2001 Apr;43(4):399-403.