α-Amino-1,4-cyclohexadiene-1-propanoic acid; (±)-form
AlkaPlorer ID: AK284591
Synonym: None
IUPAC Name: 2-amino-3-cyclohexa-1,4-dien-1-ylpropanoic acid
Structure
SMILES: NC(CC1=CCC=CC1)C(=O)O
InChI: InChI=1S/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-2,5,8H,3-4,6,10H2,(H,11,12)
InChIKey: FSZMHEMPLAVBQZ-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 167.20799999999997
TPSA？: 63.32000000000001
MolLogP？: 1.0648
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 | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 74473.2 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 62805.84 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 38018.94 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 55080.77 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 57942.87 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 50582.47 | nM | None |
| Homo sapiens | HT-29 | GI50 | 61944.11 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 67764.15 | nM | None |
| Homo sapiens | K562 | GI50 | 28906.8 | nM | None |
| Homo sapiens | KM12 | GI50 | 68233.87 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 91833.26 | nM | None |
| Homo sapiens | M14 | GI50 | 80167.81 | nM | None |
| Homo sapiens | MCF7 | GI50 | 47424.2 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 71779.43 | nM | None |
| Homo sapiens | MDA-N | GI50 | 59156.16 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 62230.03 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 60255.96 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 59292.53 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 51522.86 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 67142.89 | nM | None |
| Homo sapiens | PC-3 | GI50 | 45708.82 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 9204.5 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 70469.31 | nM | None |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 60255.96 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 53703.18 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 80537.84 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 98174.79 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 99540.54 | nM | None |
| Homo sapiens | SR | GI50 | 10000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 64416.93 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |