Molecule

4-methylbenzene-1,2-diamine

AlkaPlorer ID: AK035292

Synonym: None

IUPAC Name: 4-methylbenzene-1,2-diamine

Structure

SMILES: CC1=CC=C(N)C(N)=C1

InChI: InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3

InChIKey: DGRGLKZMKWPMOH-UHFFFAOYSA-N

Reference

PubChem CID: 10332

CAS: 496-72-0

NPASS: NPC173991

COCONUT: CNP0080098

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Nardostachys jatamansi	Nardostachys	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 122.17100000000002

TPSA？: 52.04

MolLogP？: 1.15942

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Arachidonate 15-lipoxygenase	Potency	31622.8	nM	None
Homo sapiens	Aryl hydrocarbon receptor	Potency	15848.9	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	1031.8	nM	None
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	2310.0	nM	None
Homo sapiens	Breast cancer type 1 susceptibility protein	Potency	3162.3	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	2511.9	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	31622.8	nM	None
Homo sapiens	Cytochrome P450 3A4	Potency	25118.9	nM	None
Homo sapiens	Geminin	Potency	32642.7	nM	None
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	22387.2	nM	None
Homo sapiens	Glutaminase kidney isoform, mitochondrial	Potency	19952.6	nM	None
Homo sapiens	HepG2	Potency	17782.8	nM	None
Homo sapiens	Interleukin-8	Potency	74978.0	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	3981.1	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	6309.6	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	10000.0	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	12589.3	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	25118.9	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	31622.8	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	39810.7	nM	None
Homo sapiens	Lymphoblastoid cell	Potency	50118.7	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	473.1	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	8199.5	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	37578.0	nM	None
Homo sapiens	Nuclear receptor ROR-gamma	Potency	188.3	nM	None
Homo sapiens	Parathyroid hormone receptor	Potency	39810.7	nM	None
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	25118.9	nM	None
Homo sapiens	Survival motor neuron protein	Potency	3548.1	nM	None
Homo sapiens	TAR DNA-binding protein 43	Potency	19952.6	nM	None
Homo sapiens	Thyroid hormone receptor beta-1	Potency	112201.8	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	50118.7	nM	None
Homo sapiens	Ubiquitin carboxyl-terminal hydrolase 1	Potency	5011.9	nM	None
Human immunodeficiency virus 1	Aberrant vpr protein	Potency	63095.7	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	2818.4	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	5623.4	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	15848.9	nM	None
Photinus pyralis	Luciferin 4-monooxygenase	Potency	5358.2	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	92.8	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	165.1	nM	None
Rattus norvegicus	Nuclear receptor subfamily 1 group I member 2	Potency	39.8	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	100000.0	nM	None
None	Molecular identity unknown	Potency	22387.2	nM	None
None	Molecular identity unknown	Potency	74978.0	nM	None
None	Unchecked	Potency	2238.7	nM	None
None	Unchecked	Potency	2511.9	nM	None
None	Unchecked	Potency	6309.6	nM	None
None	Unchecked	Potency	7943.3	nM	None
None	Unchecked	Potency	11582.1	nM	None
None	Unchecked	Potency	15848.9	nM	None
None	Unchecked	Potency	25118.9	nM	None