N,N-diethyl-5H-dibenzo[b,f]azepine-5-carboxamide
AlkaPlorer ID: AK531439
Synonym: None
IUPAC Name: N,N-diethylbenzo[b][1]benzazepine-11-carboxamide
Structure
SMILES: CCN(CC)C(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C21
InChI: InChI=1S/C19H20N2O/c1-3-20(4-2)19(22)21-17-11-7-5-9-15(17)13-14-16-10-6-8-12-18(16)21/h5-14H,3-4H2,1-2H3
InChIKey: TXPHORZRPXNFCG-UHFFFAOYSA-N
Reference
PubChem CID: 766793
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 292.38200000000006
TPSA？: 23.550000000000004
MolLogP？: 4.770300000000004
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 25000.0 | nM | None |
| Chlorocebus sabaeus | Vero | IC50 | 4410.0 | nM | None |
| Equus caballus | Ferritin light chain | Potency | 22387.2 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 100.0 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Geminin | Potency | 29092.9 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 5623.4 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 11220.2 | nM | None |
| Homo sapiens | H4 | EC50 | 120000.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 631.0 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 1849.3 | nM | None |
| Homo sapiens | Neuropeptide S receptor | Potency | 19952.6 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 5804.8 | nM | None |
| Homo sapiens | P2X purinoceptor 1 | IC50 | 25200.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 2 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 2 | Inhibition | 1.0 | % | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 3 | IC50 | 14200.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 4 | IC50 | 11400.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 4 | Inhibition | 95.0 | % | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | P2X purinoceptor 7 | IC50 | 69800.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Homo sapiens | Parathyroid hormone receptor | Potency | 31622.8 | nM | None |
| Homo sapiens | Polypyrimidine tract-binding protein 1 | Potency | 3162.3 | nM | None |
| Homo sapiens | Polypyrimidine tract-binding protein 1 | Potency | 5011.9 | nM | None |
| Homo sapiens | Polypyrimidine tract-binding protein 1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Survival motor neuron protein | Potency | 3981.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 9200.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 10322.5 | nM | None |
| Mus musculus | P2X purinoceptor 4 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2013.12.035 |
| Mus musculus | P2X purinoceptor 4 | Inhibition | 27.0 | % | 10.1016/j.bmc.2013.12.035 |
| Rattus norvegicus | P2X purinoceptor 4 | IC50 | 43000.0 | nM | 10.1016/j.bmc.2013.12.035 |
| None | Unchecked | CC50 | 9460.0 | nM | None |
| None | Unchecked | EC50 | 30034.0 | nM | None |
| None | Unchecked | IC50 | 2020.0 | nM | None |
| None | Unchecked | Potency | 1122.0 | nM | None |
| None | Unchecked | Potency | 1458.1 | nM | None |
| None | Unchecked | Potency | 7079.5 | nM | None |
| None | Unchecked | Potency | 9200.0 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |
| None | Unchecked | Potency | 15848.9 | nM | None |
| None | Unchecked | Potency | 31622.8 | nM | None |
| None | Unchecked | Ratio IC50 | 4.0 | None | 10.1016/j.bmc.2013.12.035 |