General
Preferred name
TOLUENE
Synonyms
4-Nitrotoluene hydride ()
Methacide ()
NSC-406333 ()
Antisal 1a ()
P&D ID
PD013752
CAS
2037-26-5
3101-08-4
50643-04-4
108-88-3
Tags
available
drug
Approved by
FDA
Drug Status
vet_approved
approved
investigational
Max Phase
2.0
Drug indication
Hot flashes
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()] ]]
Description
(extracted from source data)
DESCRIPTION
Toluene is a widely used industrial solvent. It is one of the many solvents inhaled as a drug of abuse.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
7
ChEMBL Drugs
DrugBank
DrugBank Approved Drugs
DrugCentral
Guide to Pharmacology
NPC Screening Collection
Other bioactive compounds
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
47
Molecular Weight
92.06
Hydrogen Bond Acceptors
0
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
1
Aromatic Ring Count
1
cLogP
2.0
TPSA
0.0
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
