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1-Aminocyclopropanecarboxylic acid

AlkaPlorer ID: AK007922

Synonym: None

IUPAC Name: 1-aminocyclopropane-1-carboxylic acid

Structure

SMILES: NC1(C(=O)O)CC1

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InChI: InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)

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InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Trypanosoma brucei Trypanosoma Trypanosomatidae Trypanosomatida Kinetoplastea Euglenozoa None Eukaryota

Properties Information

Molecule Weight: 101.105

TPSA？: 63.32000000000001

MolLogP？: -0.4377000000000004

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 50118.7 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 56234.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 5011.9 nM None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Histone deacetylase 6 Inhibition -14.45 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 1.28 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 7079.5 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 125.86 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 99.32 % 10.1124/mol.112.084152
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Mus musculus Mus musculus ED50 234.0 mg.kg-1 10.1021/jm00050a001
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
Rattus norvegicus Glutamate NMDA receptor EC50 140.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate NMDA receptor IC50 40.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate NMDA receptor Ki 158.49 nM 10.1021/jm900363q
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 28183.8 nM None
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 25929.0 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -4.23 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 4.95 % 10.21203/rs.3.rs-23951/v1
Trypanosoma brucei 6-phospho-1-fructokinase Potency 60119.8 nM None
None ADMET CL 0.4 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 1.5 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 3.1 mL.min-1.kg-1 10.1002/jps.20373
None ADMET CL 3.2 mL.min-1.kg-1 10.1002/jps.20373
None ADMET Vdss 0.64 mL/min/kg 10.1002/jps.20373
None ADMET Vdss 0.7 L.kg-1 10.1002/jps.20373
None ADMET Vdss 0.72 L.kg-1 10.1002/jps.20373
None ADMET Vdss 0.73 L.kg-1 10.1002/jps.20373

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001130 C#N.C=C.O=C=O>>NC1(C(=O)O)CC1 MNXR179331
AKRT006780 CC/C=C\CC1C(=O)CCC1CC(=O)O.NC1(C(=O)O)CC1>>CC/C=C\CC1C(=O)CCC1CC(=O)NC1(C(=O)O)CC1 RXN-10439
AKRT012672 C[33S]>>CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NC1(C(=O)O)CC1 None
AKRT014516 C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>NC1(C(=O)O)CC1 R00179
AKRT014535 C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>NC1(C(=O)O)CC1 4.4.1.14-RXN
AKRT017470 NC1(C(=O)O)CC1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>N[C@@H](CCC(=O)NC1(C(=O)O)CC1)C(=O)O enzymemap_32772
AKRT017471 NC1(C(=O)O)CC1.N[C@@H](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)O>>N[C@@H](CCC(=O)NC1(C(=O)O)CC1)C(=O)O enzymemap_32777
AKRT017472 NC1(C(=O)O)CC1>>C#N ETHYL-RXN
AKRT017473 NC1(C(=O)O)CC1>>C/C=C(\N)C(=O)O RXN-15149
AKRT017474 NC1(C(=O)O)CC1>>C=C ETHYL-RXN
AKRT017475 NC1(C(=O)O)CC1>>CCC(=O)C(=O)O R00997
AKRT017476 NC1(C(=O)O)CC1>>O=C=O ETHYL-RXN
AKRT017477 NC1(C(=O)O)CC1>>[C-]#N R07214
AKRT022707 O=C(O)CC(=O)[CoA].NC1(C(=O)O)CC1>>O=C(O)CC(=O)NC1(C(=O)O)CC1 enzymemap_28476