General Information of the Compound
| Compound ID |
CP0053031
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| Compound Name |
4-Aminofolic acid
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| Synonyms |
(2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
2-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]pentanedioic acid
4'-Amino-folsaeure
4'-Desoxy-4'-aminofolsaeure
4-Amino pteroylglutamic acid
4-Amino-4-deoxypteroylglutamate
4-Amino-4-desoxy-pteroylglutaminsaeure
4-Amino-PGA
4-Aminofolic acid
4-Aminopteroyl-<R>glutamic acid
4-Aminopteroyl-L-glutamic acid
4-Aminopteroyl-glutamic acid
4-Aminopteroylglutamic acid
A 1784
A-7170;A-Ninopterin
APGA
Aminopteridine
Aminopterin
Aminopterine
Aminopterinum
Aminotrexate
ENT-26079
Kyselina 4-aminolistova
Kyselina 4-aminolistova [Czech]
Kyselina 4-aminopteroylglutamova
Kyselina 4-aminopteroylglutamova [Czech]
Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamova
Kyselina N-(p-((2,4-diamino-6-pteridinyl)methyl)benzoyl)-L(+)-glutamova [Czech]
Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)amino)benzoyl)-L(+)-glutamova
Kyselina N-(p-((2,4-diamino-6-pteridinylmethyl)amino)benzoyl)-L(+)-glutamova [Czech]
L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]
N-(1-((2,4-Diamino-6-pteridinylmethyl)amino)benzoyl)glutaminsaeure
N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid
N-(4-(((2,4-Diamino-6-pteridyl)-methyl)amino)benzoyl)-L-glutamic acid
N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid
N-[(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}phenyl)carbonyl]glutamic acid
Pteramina
Pteramina [Czech]
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| Structure |
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| Formula |
C19H20N8O5
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| Molecular Weight |
440.42
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| Canonical SMILES |
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
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| InChI |
InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1
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| InChIKey |
TVZGACDUOSZQKY-LBPRGKRZSA-N
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| CAS |
54-62-6
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01651, Dihydrofolate reductase
Protein ID: PT02055, Dihydrofolate reductase
Protein ID: PT06163, Solute carrier organic anion transporter family member 1A3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000266 | L1210 | Mus musculus (Mouse) | 2 |
| 1 |
EC50 = 1.8 nM
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TI
LI
LO
TS
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| 2 |
IC50 = 3 nM
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TI
LI
LO
TS
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Clinical Information about the Compound