2-Methylhippuric acid
AlkaPlorer ID: AK009149
Synonym: None
IUPAC Name: 2-[(2-methylbenzoyl)amino]acetic acid
Structure
SMILES: CC1=CC=CC=C1C(O)=NCC(=O)O
InChI: InChI=1S/C10H11NO3/c1-7-4-2-3-5-8(7)10(14)11-6-9(12)13/h2-5H,6H2,1H3,(H,11,14)(H,12,13)
InChIKey: YOEBAVRJHRCKRE-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 193.202
TPSA？: 69.89
MolLogP？: 1.38422
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 103.2 | nM | None |
| Homo sapiens | Huntingtin | Potency | 3162.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Rattus norvegicus | Liver | Drug uptake | nan | None | 10.1021/acs.jmedchem.5b01807 |
| Rattus norvegicus | Peptidyl-glycine alpha-amidating monooxygenase | Activity | 0.3 | None | 10.1016/j.bmc.2008.10.013 |
| Rattus norvegicus | Peptidyl-glycine alpha-amidating monooxygenase | Km | 4300000.0 | nM | 10.1016/j.bmc.2008.10.013 |
| Rattus norvegicus | Peptidyl-glycine alpha-amidating monooxygenase | Ratio | 1.8 | 10'3/M/s | 10.1016/j.bmc.2008.10.013 |
| Rattus norvegicus | Peptidyl-glycine alpha-amidating monooxygenase | Vmax(app) | 7.9 | /s | 10.1016/j.bmc.2008.10.013 |
| Rattus norvegicus | Plasma | Drug uptake | nan | None | 10.1021/acs.jmedchem.5b01807 |