(4-{[(4E)-2-[(1E)-2-(4-chlorophenyl)ethenyl]-1,4-dihydropyridin-4-ylidene]amino}pentyl)diethylamine
AlkaPlorer ID: AK325313
Synonym: None
IUPAC Name: 4-N-[2-[(E)-2-(4-chlorophenyl)ethenyl]pyridin-4-yl]-1-N,1-N-diethylpentane-1,4-diamine
Structure
SMILES: CCN(CC)CCCC(C)NC1=CC=NC(/C=C/C2=CC=C(Cl)C=C2)=C1
InChI: InChI=1S/C22H30ClN3/c1-4-26(5-2)16-6-7-18(3)25-22-14-15-24-21(17-22)13-10-19-8-11-20(23)12-9-19/h8-15,17-18H,4-7,16H2,1-3H3,(H,24,25)/b13-10+
InChIKey: FIDFDSHBKIWNIN-JLHYYAGUSA-N
Source
Properties Information
Molecule Weight: 371.9560000000001
TPSA？: 28.16
MolLogP？: 5.827800000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 1412.54 | nM | None |
| Homo sapiens | A549 | GI50 | 1909.85 | nM | None |
| Homo sapiens | ACHN | GI50 | 3318.94 | nM | None |
| Homo sapiens | BT-549 | GI50 | 2187.76 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 2285.6 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 1199.5 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 1352.07 | nM | None |
| Homo sapiens | DU-145 | GI50 | 9078.21 | nM | None |
| Homo sapiens | EKVX | GI50 | 4197.59 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 1945.36 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 1717.91 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 1819.7 | nM | None |
| Homo sapiens | HL-60 | GI50 | 2074.91 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 1840.77 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 1256.03 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 2264.64 | nM | None |
| Homo sapiens | HT-29 | GI50 | 3491.4 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 2172.7 | nM | None |
| Homo sapiens | K562 | GI50 | 135.21 | nM | None |
| Homo sapiens | KM12 | GI50 | 2018.37 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 1256.03 | nM | None |
| Homo sapiens | M14 | GI50 | 1106.62 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 1207.81 | nM | None |
| Homo sapiens | MCF7 | GI50 | 2552.7 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 496.59 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 1559.55 | nM | None |
| Homo sapiens | MDA-N | GI50 | 1828.1 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 1224.62 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 3118.89 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 10115.79 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 2312.06 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 2691.53 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 1625.55 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 1629.3 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 3507.52 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 2612.16 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 3427.68 | nM | None |
| Homo sapiens | PC-3 | GI50 | 1559.55 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 1717.91 | nM | None |
| Homo sapiens | SF-268 | GI50 | 3061.96 | nM | None |
| Homo sapiens | SF-295 | GI50 | 3019.95 | nM | None |
| Homo sapiens | SF-539 | GI50 | 1674.94 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 2108.63 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1702.16 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 3228.49 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 3614.1 | nM | None |
| Homo sapiens | SN12C | GI50 | 2065.38 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 3396.25 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 1770.11 | nM | None |
| Homo sapiens | SR | GI50 | 2301.44 | nM | None |
| Homo sapiens | SW-620 | GI50 | 1541.7 | nM | None |
| Homo sapiens | T47D | GI50 | 1931.97 | nM | None |
| Homo sapiens | TK-10 | GI50 | 2382.32 | nM | None |
| Homo sapiens | U-251 | GI50 | 1659.59 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 2018.37 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 1940.89 | nM | None |
| Homo sapiens | UO-31 | GI50 | 1524.05 | nM | None |