General
Preferred name
cocaine
Synonyms
COCAINE HYDROCHLORIDE ()
Cocainum ()
Neurocaine ()
RX-0041 ()
IDS-NC-004 ()
RX0041 ()
Benzoylmethylecgonine ()
(r)-(-)-cocaine ()
NSC-25263 ()
Goprelto ()
Cocaine muriate ()
Cocaine hcl ()
Cocainum muriaticum ()
NIH 8211 ()
Numbrino ()
MCV 4526 ()
Cocaine hydrochloride cii ()
RX-0041-002 ()
P&D ID
PD009652
CAS
50-36-2
Tags
natural product
drug
First approval
2017
1860
Drug indication
Anesthetic (topical)
Anaesthesia
Drug Status
illicit
approved
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Cocaine is a tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. Topically applied cocaine has local anesthetic effects, causing loss of feeling or numbness. It also causes vasoconstriction.
There is no information on the US Drugs@FDA website regarding marketing approval for formulations of this drug. (GtoPdb)
Cell lines
0
Organisms
3
Compound Sets
11
ChEMBL Approved Drugs
CHEMBL370805
CHEMBL529437
ChEMBL Drugs
CHEMBL370805
CHEMBL529437
DrugBank
DB00907
DrugBank Approved Drugs
DB00907
DrugCentral
723
DrugCentral Approved Drugs
723
DrugMAP
DMSOX7I
DrugMAP Approved Drugs
DMSOX7I
Guide to Pharmacology
2286
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL370805
CHEMBL529437
NCATS Inxight Approved Drugs
I5Y540LHVR
External IDs
57
Properties
(calculated by RDKit )
Molecular Weight
303.15
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
1
cLogP
1.87
TPSA
55.84
Fraction CSP3
0.53
Chiral centers
4.0
Largest ring
6.0
QED
0.8
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Therapeutic Class
Anesthetics
Source data