General
Preferred name
NITRILOTRIACETIC ACID
Synonyms
Triglycollamic acid ()
Nitrilotriacetate ()
Nitriloacetate ()
P&D ID
PD007438
CAS
139-13-9
Tags
drug candidate
available
Drug indication
Discovery agent
Drug Status
experimental
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Nitrilotriacetic acid is a chelating agent which forms coordination compounds with metal ions. It is an inhibitor of bacterial metallo-beta-lactamase type 2. (Enamine Bioactive Compounds)
DESCRIPTION Nitrilotriacetic acid (Nitriloacetate) is a chelator that tracks and enriches His-tagged proteins in living cells by reacting with divalent metal ions-mediated 6His tagging. (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugBank
DrugMAP
Enamine Bioactive Compounds
TargetMol Bioactive Compound Library
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
191.04
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
6
Ring Count
0
Aromatic Ring Count
0
cLogP
-1.46
TPSA
115.14
Fraction CSP3
0.5
Chiral centers
0.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Source data