(1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
AlkaPlorer ID: AK008739
Synonym: None
IUPAC Name: (1R,2S,5S)-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
Structure
SMILES: O=C(O)[C@H]1NC[C@H]2C[C@H]21
InChI: InChI=1S/C6H9NO2/c8-6(9)5-4-1-3(4)2-7-5/h3-5,7H,1-2H2,(H,8,9)/t3-,4-,5+/m1/s1
InChIKey: JBDOTWVUXVXVDR-WDCZJNDASA-N
Reference
Four cyclopropane amino acids from Ephedra
PubChem CID: 11073435
CAS: 33294-81-4
LOTUS: LTS0120587
SuperNatural Ⅲ: SN0160747-01
NPASS: NPC15864
Source
Properties Information
Molecule Weight: 127.143
TPSA？: 49.33
MolLogP？: -0.3211000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 50118.7 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 89125.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 14581.0 | nM | None |
| Homo sapiens | Proton-coupled amino acid transporter 1 | Ki | 2700000.0 | nM | 10.1016/j.bmc.2011.08.058 |
| Homo sapiens | Proton-coupled amino acid transporter 1 | pKi | -0.43 | mM | 10.1016/j.bmc.2011.08.058 |
| Homo sapiens | Pyruvate kinase isozymes M1/M2 | Potency | 28183.8 | nM | None |
| Influenza A virus | Nonstructural protein 1 | Potency | 10000.0 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1039/C5MD00479A |
| None | Unchecked | Inhibition | nan | % | 10.1039/C5MD00479A |