2-N-tert-butyl-6-chloro-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
AlkaPlorer ID: AK273157
Synonym: None
IUPAC Name: 2-N-tert-butyl-6-chloro-4-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Structure
SMILES: CC1=CC=C(NC2=NC(Cl)=NC(NC(C)(C)C)=N2)C=C1
InChI: InChI=1S/C14H18ClN5/c1-9-5-7-10(8-6-9)16-12-17-11(15)18-13(19-12)20-14(2,3)4/h5-8H,1-4H3,(H2,16,17,18,19,20)
InChIKey: QTGDVOOEMHTAPS-UHFFFAOYSA-N
Reference
Hypoxylonols C–F, Benzo[<i>j</i>]fluoranthenes from <i>Hypoxylon truncatum</i>
PubChem CID: 778562
CAS: 299929-72-9
SuperNatural Ⅲ: SN0314594
COCONUT: CNP0032707
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 291.786
TPSA？: 62.73
MolLogP？: 3.787420000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans (strain WO-1) (Yeast) | ATP-dependent molecular chaperone HSP82 | EC50 | 2615.0 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 16353.5 | nM | None |
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 18348.9 | nM | None |
| Homo sapiens | Breast cancer type 1 susceptibility protein | Potency | 31622.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Glucagon-like peptide 1 receptor | Potency | 19952.6 | nM | None |
| Homo sapiens | HeLa | AC50 | 158539.0 | nM | None |
| Homo sapiens | microRNA 21 | Potency | 2612.2 | nM | None |
| Homo sapiens | Niemann-Pick C1 protein | Potency | 3548.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 14581.0 | nM | None |
| Homo sapiens | TAR DNA-binding protein 43 | Potency | 22387.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Photinus pyralis | Luciferin 4-monooxygenase | Potency | 11995.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 16.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 14715.7 | nM | None |
| Saccharomyces cerevisiae S288c | Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | 16000.0 | nM | None |
| None | Unchecked | AbsAC40_uM | 1.47 | uM | None |
| None | Unchecked | AC40 | 3.687 | uM | None |
| None | Unchecked | EC50 | 1981.0 | nM | None |
| None | Unchecked | EC50 | 160000.0 | nM | None |
| None | Unchecked | Potency | 1778.3 | nM | None |
| None | Unchecked | Potency | 2238.7 | nM | None |
| None | Unchecked | Potency | 29092.9 | nM | None |