General
Preferred name
DOTA
Synonyms
Gadoteric acid ()
TETRAXETAN ()
NSC-681107 ()
DOT-A ()
Dota acid ()
P&D ID
PD014753
CAS
60239-18-1
Tags
available
drug candidate
Drug Status
investigational
Max Phase
3.0
Drug indication
acute lymphoblastic leukemia
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
A macrocyclic chelator used to form complexes with some synthetic peptides. Drugs containing DOTA as a chelator are allocated INNs ending with tetraxetan.
(GtoPdb)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
6
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
Guide to Pharmacology
NPC Screening Collection
ReFrame library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
29
Molecular Weight
404.19
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
4
Rotatable Bonds
8
Ring Count
1
Aromatic Ring Count
0
cLogP
-2.45
TPSA
162.16
Fraction CSP3
0.75
Chiral centers
0.0
Largest ring
12.0
QED
0.34
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Indication
MRI contrast agent
MOA
radiopaque medium
Source data
