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name Structure Reference Source Properties Activities Metabolism

DINITRO CRESOL

AlkaPlorer ID: AK598340

Synonym: None

IUPAC Name: 2-methyl-4,6-dinitrophenol

Structure

SMILES: CC1=CC([N+](=O)[O-])=CC([N+](=O)[O-])=C1O

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InChI: InChI=1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3

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InChIKey: ZXVONLUNISGICL-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Corchorus capsularis Corchorus Malvaceae Malvales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 198.134

TPSA？: 106.51

MolLogP？: 1.5170199999999998

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 11220.2 nM None
Homo sapiens Androgen Receptor Potency 25118.9 nM None
Homo sapiens Androgen Receptor Potency 39810.7 nM None
Homo sapiens Cellular tumor antigen p53 Potency 50118.7 nM None
Homo sapiens Estrogen receptor alpha Potency 14125.4 nM None
Homo sapiens Estrogen receptor alpha Potency 31622.8 nM None
Homo sapiens G-protein coupled receptor 35 Activity nan None 10.1039/C2MD20210G
Homo sapiens G-protein coupled receptor 35 EC50 6910.0 nM 10.1039/C2MD20210G
Homo sapiens G-protein coupled receptor 35 EC50 81100.0 nM 10.1039/C2MD20210G
Homo sapiens G-protein coupled receptor 35 Efficacy 37.0 % 10.1039/C2MD20210G
Homo sapiens G-protein coupled receptor 35 Efficacy 229.0 pM 10.1039/C2MD20210G
Homo sapiens Interleukin-8 Potency 66824.2 nM None
Homo sapiens Lymphoblastoid cell Potency 50118.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 16785.5 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 21689.9 nM None
Homo sapiens Nuclear receptor ROR-gamma Potency 13333.2 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 14125.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor delta Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 44668.4 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma Potency 50118.7 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 48557.7 nM None
Homo sapiens Vitamin D receptor Potency 19952.6 nM None
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Monoamine oxidase B Activity nan None 10.1021/jm800656v
Mus musculus Nuclear receptor ROR-gamma Potency 2511.9 nM None
Mus musculus Nuclear receptor ROR-gamma Potency 19952.6 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 35481.3 nM None
Rattus norvegicus Nuclear receptor subfamily 1 group I member 2 Potency 50118.7 nM None
None ADMET pKa 4.4 None 10.1021/jm950028z
None Molecular identity unknown Potency 33491.5 nM None
None Molecular identity unknown Potency 50118.7 nM None
None Unchecked Ac50 1.0 uM None
None Unchecked Ac50 15.85 uM None
None Unchecked Ac50 22.39 uM None
None Unchecked AC50 22387.2 nM None
None Unchecked AC50 28183.8 nM None
None Unchecked AC50 35481.3 nM None
None Unchecked Potency 28183.8 nM None
None Unchecked Potency 39810.7 nM None
None Unchecked Potency 42163.2 nM None
None Unchecked Potency 44668.4 nM None
None Unchecked Potency 66824.2 nM None

Metabolism Information