p-phenylenediamine
AlkaPlorer ID: AK043402
Synonym: None
IUPAC Name: benzene-1,4-diamine
Structure
SMILES: NC1=CC=C(N)C=C1
InChI: InChI=1S/C6H8N2/c7-5-1-2-6(8)4-3-5/h1-4H,7-8H2
InChIKey: CBCKQZAAMUWICA-UHFFFAOYSA-N
Reference
PubChem CID: 7814
CAS: 106-50-3
SuperNatural Ⅲ: SN0040933
NPASS: NPC301874
COCONUT: CNP0208924
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligusticum chuanxiong | Ligusticum | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 108.144
TPSA？: 52.04
MolLogP？: 0.8510000000000002
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 3539.7 | nM | None |
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 6294.6 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 44668.4 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 125.9 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 12589.3 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 3162.3 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 3548.1 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 12589.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 14125.4 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 15848.9 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 10000.0 | nM | None |
| Homo sapiens | Skin | log Kp | -7.22 | None | 10.1016/j.bmc.2007.07.050 |
| Homo sapiens | Vitamin D receptor | Potency | 25118.9 | nM | None |
| Mus musculus | HT-22 | EC50 | 879.0 | nM | 10.1016/j.bmcl.2014.02.006 |
| Mus musculus | Mus musculus | Activity | 397.0 | U/L | 10.1038/nchembio.179 |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 32196.8 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 19011.5 | nM | None |
| Rattus norvegicus | Peripheral myelin protein 22 | Potency | 2869.5 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | Unchecked | Ac50 | 7.079 | uM | None |
| None | Unchecked | Ac50 | 17.78 | uM | None |
| None | Unchecked | Ac50 | 44.67 | uM | None |
| None | Unchecked | AC50 | 7079.5 | nM | None |
| None | Unchecked | AC50 | 17782.8 | nM | None |
| None | Unchecked | AC50 | 44668.4 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |
| None | Unchecked | Potency | 36125.4 | nM | None |