N1,N1-dimethylbenzene-1,4-diamine
AlkaPlorer ID: AK048422
Synonym: None
IUPAC Name: 4-N,4-N-dimethylbenzene-1,4-diamine
Structure
SMILES: CN(C)C1=CC=C(N)C=C1
InChI: InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
InChIKey: BZORFPDSXLZWJF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Terminalia chebula | Terminalia | Combretaceae | Myrtales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 136.19799999999998
TPSA？: 29.26
MolLogP？: 1.3348
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 14125.4 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase | Potency | 794.3 | nM | None |
| Homo sapiens | Arachidonate 15-lipoxygenase, type II | Potency | 12589.3 | nM | None |
| Homo sapiens | Aryl hydrocarbon receptor | Potency | 44668.4 | nM | None |
| Homo sapiens | Bile acid receptor FXR | Potency | 50118.7 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 31622.8 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 15848.9 | nM | None |
| Homo sapiens | Estrogen receptor alpha | Potency | 31622.8 | nM | None |
| Homo sapiens | HERG | Potency | 35481.3 | nM | None |
| Homo sapiens | Interleukin-8 | Potency | 66824.2 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 15848.9 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 19952.6 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 39810.7 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 50118.7 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 63095.7 | nM | None |
| Homo sapiens | Lymphoblastoid cell | Potency | 79432.8 | nM | None |
| Homo sapiens | MAP kinase ERK2 | Potency | 39810.7 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 11883.2 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 33491.5 | nM | None |
| Homo sapiens | Nuclear factor NF-kappa-B p105 subunit | Potency | 44668.4 | nM | None |
| Homo sapiens | Nuclear receptor ROR-gamma | Potency | 1188.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25118.9 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 14125.4 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 35481.3 | nM | None |
| Rattus norvegicus | Inositol monophosphatase 1 | Potency | 14125.4 | nM | None |
| Rattus norvegicus | Nuclear receptor subfamily 1 group I member 2 | Potency | 15848.9 | nM | None |
| None | Molecular identity unknown | Potency | 22387.2 | nM | None |
| None | Molecular identity unknown | Potency | 59557.2 | nM | None |
| None | No relevant target | pKA | 6.71 | None | 10.1016/S0960-894X(01)80427-3 |
| None | Unchecked | Potency | 29849.3 | nM | None |
| None | Unchecked | Potency | 50118.7 | nM | None |