General
Preferred name
AMINOPTERIN
Synonyms
4-Aminofolic acid ()
APGA ()
Aminopterin sodium ()
4-amino Folic Acid, 4-amino PGA, 4-Aminofolic acid, 4-Aminopteroylglutamic acid, Aminopteroylglutamic acid, APGA, NSC 739 ()
Aminopteroylglutamic acid ()
Methotrexate related compound b ()
NSC-739 ()
Aminotrexate ()
4-amino-pga ()
4-Aminopteroic acid ()
NSC-257456 ()
Aminopterin ()
P&D ID
PD009086
CAS
54-62-6
120382-78-7
31823-54-8
Tags
drug candidate
natural product
probe
drug
available
Drug indication
leukaemia
Drug Status
investigational
approved
withdrawn
Max Phase
Phase 2
Probe info
Probe type
calculated probe
Probe sources
Probe Miner (suitable probes)
Probe targets
Structure
Probe scores
P&D probe-likeness score
[[ v.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.
Cell lines
11
Organisms
4
Compound Sets
13
AdooQ Bioactive Compound Library
A11787
Cayman Chemical Bioactives
21802
ChEMBL Drugs
CHEMBL376180
CHEMBL2104643
Drug Repurposing Hub
DrugBank
DB08878
DrugCentral
21
DrugCentral Approved Drugs
21
DrugMAP
DMQ9RBV
MedChem Express Bioactive Compound Library
HY-14518
Probe Miner (suitable probes)
P00374/417624
Selleckchem Bioactive Compound Library
aminopterin
TargetMol Bioactive Compound Library
T7730
Withdrawn 2.0
DB08878
External IDs
37
Properties
(calculated by RDKit )
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)
Pathway
DNA Damage/DNA Repair
Cell Cycle/DNA Damage
Target
Antifolate
DHFR, SLC46A1
DHFR
MOA
dihydrofolate reductase inhibitor
ATC
L
Therapeutic Class
Anticancer Agents
Source data