N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
AlkaPlorer ID: AK593429
Synonym: None
IUPAC Name: N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-methylpropanamide
Structure
SMILES: CC(C)C(=O)NC(C1=CC=C(N(C)C)C=C1)C1=CC=C2C=CC=NC2=C1O
InChI: InChI=1S/C22H25N3O2/c1-14(2)22(27)24-19(16-7-10-17(11-8-16)25(3)4)18-12-9-15-6-5-13-23-20(15)21(18)26/h5-14,19,26H,1-4H3,(H,24,27)
InChIKey: ZMPRXGIKEBLOJN-UHFFFAOYSA-N
Reference
PubChem CID: 2877005
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 363.46100000000007
TPSA？: 65.46000000000001
MolLogP？: 3.868000000000003
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Alpha-synuclein | Potency | 31622.8 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 3548.1 | nM | None |
| Homo sapiens | NCI-H358 | Potency | 200.0 | nM | None |
| Homo sapiens | NSCLC | Potency | 200.0 | nM | None |
| Homo sapiens | NSCLC | Potency | 300.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3981.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 3981.1 | nM | None |
| None | Unchecked | Potency | 5000.0 | nM | None |
| None | Unchecked | Potency | 5623.4 | nM | None |
| None | Unchecked | Potency | 6000.0 | nM | None |
| None | Unchecked | Potency | 8140.0 | nM | None |