General
Preferred name
AMINOPTERIN
Synonyms
APGA ()
4-Aminofolic acid ()
4-amino Folic Acid, 4-amino PGA, 4-Aminofolic acid, 4-Aminopteroylglutamic acid, Aminopteroylglutamic acid, APGA, NSC 739 ()
Methotrexate related compound b ()
Aminotrexate ()
4-amino-pga ()
4-Aminopteroic acid ()
Aminopteroylglutamic acid ()
NSC-739 ()
NSC-257456 ()
Aminopterine sodique ()
Aminopterina de sodio ()
Aminopterin sodium ()
Aminopterin ()
P&D ID
PD009086
CAS
120382-78-7
54-62-6
31823-54-8
Tags
available
drug candidate
drug
Drug indication
acute lymphoblastic leukemia
leukaemia
Drug Status
withdrawn
approved
investigational
Max Phase
2.0
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)
DESCPRITION
A folic acid derivative used as a rodenticide that has been shown to be teratogenic.
PRICE
60
DESCRIPTION
Aminopterin is a inhibitor of a dihydrofolate reductase.
(Enamine Bioactive Compounds)
DESCRIPTION
Aminopterin (4-Aminofolic acid) is a synthetic folic acid derivative whose metabolite is a competitive inhibitor of dihydrofolate reductase
(TargetMol Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
11
Organisms
5
Compound Sets
15
AdooQ Bioactive Compound Library
Cayman Chemical Bioactives
ChEMBL Drugs
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Probe Miner (suitable probes)
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
Withdrawn 2.0
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
75
Molecular Weight
440.16
Hydrogen Bond Acceptors
10
Hydrogen Bond Donors
6
Rotatable Bonds
9
Ring Count
3
Aromatic Ring Count
3
cLogP
0.24
TPSA
219.33
Fraction CSP3
0.21
Chiral centers
1.0
Largest ring
6.0
QED
0.26
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Antifolate
DHFR, SLC46A1
DHFR
MOA
dihydrofolate reductase inhibitor
ATC
L
Therapeutic Class
Anticancer Agents
Pathway
Cell Cycle/DNA Damage
Cell Cycle/Checkpoint
Source data
