General
Preferred name
P-TOLUENESULFONAMIDE
Synonyms
para-toluenesulfonamide ()
P-methylbenzenesulfonamide ()
P-toluenesulfonylamide ()
NSC-9908 ()
P-tosylamide ()
Paratoulene sulfonamide ()
Toluenesulfonamide, p- ()
P&D ID
PD062346
CAS
70-55-3
12552-95-3
Tags
available
drug candidate
Drug indication
Discovery agent
Hepatocellular carcinoma
Drug Status
investigational
Max Phase
3.0
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 P-Toluenesulfonamide inhibits carbonic anhydrases with Ki= 1.8nM for CA XII and Ki = 11nM for CA II. (Enamine Bioactive Compounds)
Cell lines
0
Organisms
2
Compound Sets
8
ChEMBL Drugs
CHEMBL574
Drug Repurposing Hub
DrugBank
DB17299
DrugMAP
DMPEKTO
Enamine Bioactive Compounds
EBC-04049
Enamine BioReference Compounds
Novartis Chemogenetic Library (NIBR MoA Box)
ReFrame library
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
171.04
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
1
cLogP
0.64
TPSA
60.16
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Member status
member
MOA
Carbonic Anhydrase Type II Inhibitors
Carbonic Anhydrase Type III Inhibitors
Target
CA12, CA2, CA6, CA9
Source data