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name Structure Reference Source Properties Activities Metabolism

α naphthylamine

AlkaPlorer ID: AK020733

Synonym: None

IUPAC Name: naphthalen-1-amine

Structure

SMILES: NC1=CC=CC2=C1C=CC=C2

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InChI: InChI=1S/C10H9N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,11H2

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InChIKey: RUFPHBVGCFYCNW-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Capsicum annuum Capsicum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 143.189

TPSA？: 26.02

MolLogP？: 2.4220000000000006

Number of H-Donors: 1

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Serum albumin Log 1/C 3.94 None 10.1021/jm00118a010
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 10000.0 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 19952.6 nM None
Homo sapiens Aryl hydrocarbon receptor Potency 44668.4 nM None
Homo sapiens Cytochrome P450 3A4 Potency 31622.8 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 3981.1 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 31622.8 nM None
Homo sapiens Histone acetyltransferase KAT8 IC50 181000.0 nM 10.1016/j.ejmech.2017.05.015
Homo sapiens Histone acetyltransferase KAT8 Inhibition nan % 10.1016/j.ejmech.2017.05.015
Homo sapiens Kelch-like ECH-associated protein 1 Activity 9.0 % 10.1021/acs.jmedchem.0c02094
Homo sapiens Kelch-like ECH-associated protein 1 Kd 1200000.0 nM 10.1021/acs.jmedchem.0c02094
Homo sapiens Lymphoblastoid cell Potency 25118.9 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 79432.8 nM None
Homo sapiens NCI-H1299 Activity nan None 10.1016/j.bmcl.2016.01.063
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 8412.7 nM None
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 37578.0 nM None
Homo sapiens P-glycoprotein 1 Activity nan None 10.1002/jps.20101
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Homo sapiens UDP-glucuronosyltransferase 1-1 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-10 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-3 Activity 12.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-6 Activity 10600.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-7 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1-9 Activity 1800.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 1A4 Activity 360.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2A1 Activity 22.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Homo sapiens UDP-glucuronosyltransferase 2B15 Activity 0.0 pm/min/mg 10.1146/annurev.pharmtox.40.1.581
Mus musculus Polycyclic aromatic hydrocarbon binding protein Delta Gm 14.4 None 10.1021/jm00164a049
None ADMET Log k' w 2.203 None 10.1021/jm00118a010
None No relevant target LogP 2.26 None 10.1021/jm00118a010

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004743 CC(=O)[CoA].Nc1cccc2ccccc12>>CC(=O)Nc1cccc2ccccc12 enzymemap_31143
AKRT019024 N[C@@H](CCC(=O)Nc1cccc2ccccc12)C(=O)O>>Nc1cccc2ccccc12 enzymemap_85861
AKRT020682 Nc1cccc2ccccc12>>O=S(=O)(O)Nc1cccc2ccccc12 enzymemap_50506
AKRT022383 O=C(CCl)Nc1cccc2ccccc12>>Nc1cccc2ccccc12 enzymemap_78150
AKRT024853 ONc1cccc2ccccc12>>Nc1cccc2ccccc12 R07030