General
Preferred name
COCAINE HYDROCHLORIDE
Synonyms
Cocaine hcl ()
NIH 8211 ()
RX-0041-002 ()
MCV 4526 ()
Numbrino ()
Goprelto ()
Cocaine hydrochloride cii ()
NSC-25263 ()
Cocaine muriate ()
Cocainum muriaticum ()
P&D ID
PD041391
Tags
natural product
drug
Drug Status
approved
Max Phase
Phase 4
Drug indication
Anesthetic (topical)
First approval
2017
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
3
ChEMBL Approved Drugs
ChEMBL Drugs
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
339.12
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
0
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
1
cLogP
2.29
TPSA
55.84
Fraction CSP3
0.53
Chiral centers
4.0
Largest ring
6.0
QED
0.79
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
