General
Preferred name
THIRAM
Synonyms
Nobecutan ()
NSC-1771 ()
NSC-59637 ()
SQ-1489 ()
NSC-49512 ()
Rezifilm ()
SQ 1489 ()
NSC-622696 ()
P&D ID
PD001000
CAS
12680-07-8
137-26-8
Tags
covalent binder
natural product
drug
available
Drug Status
experimental
approved
Drug indication
Antifungal
Discovery agent
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 ]]
Cell lines
2
Organisms
2
Compound Sets
14
ChEMBL Drugs
CovalentInDB
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMatrix
Enamine BioReference Compounds
NCATS Inxight Approved Drugs
NIH Mechanistic Set
NPC Screening Collection
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
239.99
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
0
Aromatic Ring Count
0
cLogP
2.06
TPSA
6.48
Fraction CSP3
0.67
Chiral centers
0.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
contact dermatitis
Target
JAK2
Source data
