Navigation

name Structure Reference Source Properties Activities Metabolism

Benzamide

AlkaPlorer ID: AK001573

Synonym: None

IUPAC Name: benzamide

Structure

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

copy

InChI: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)

copy

InChIKey: KXDAEFPNCMNJSK-UHFFFAOYSA-N

copy

Properties Information

Molecule Weight: 121.13899999999995

TPSA？: 44.08

MolLogP？: 1.56997

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 631.0 nM None
Escherichia coli K-12 Endonuclease 4 Potency 1258.9 nM None
Homo sapiens Alcohol dehydrogenase log K -2.72 None 10.1021/jm00214a001
Homo sapiens Ataxin-2 Potency 3162.3 nM None
Homo sapiens ATP-dependent DNA helicase Q1 Potency 10000.0 nM None
Homo sapiens Bloom syndrome protein Potency 2.8 nM None
Homo sapiens Cerebroside-sulfatase Potency 1694.4 nM None
Homo sapiens Chromobox protein homolog 1 Potency 63095.7 nM None
Homo sapiens Coagulation factor VII/tissue factor Ki 49000000.0 nM 10.1021/acsmedchemlett.6b00282
Homo sapiens Coagulation factor VII/tissue factor Ki 49000000.0 nM 10.1021/jm501982k
Homo sapiens Cytochrome P450 2C19 Potency 251.2 nM None
Homo sapiens Cytochrome P450 3A4 Potency 5.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 891.3 nM None
Homo sapiens DNA polymerase beta Potency 79432.8 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Geminin Potency 6.5 nM None
Homo sapiens Geminin Potency 206.0 nM None
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 223.9 nM None
Homo sapiens Lymphoblastoid cell Potency 12589.3 nM None
Homo sapiens Microtubule-associated protein tau Potency 3162.3 nM None
Homo sapiens M-phase phosphoprotein 8 Potency 39810.7 nM None
Homo sapiens NAD(+) hydrolase SARM1 Activity nan None None
Homo sapiens NAD(+) hydrolase SARM1 Inhibition nan % None
Homo sapiens Nicotinamide N-methyltransferase Ki 100000.0 nM 10.1021/acs.jmedchem.9b01255
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 25929.0 nM None
Homo sapiens PARP 1, 2 and 3 Inhibition nan % 10.1021/jm200325s
Homo sapiens Peripheral myelin protein 22 Potency 95283.4 nM None
Homo sapiens Poly(ADP-ribose) glycohydrolase IC50 1000000.0 nM 10.1021/jm200325s
Homo sapiens Poly(ADP-ribose) glycohydrolase Inhibition nan % 10.1021/jm200325s
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 5400.0 nM 10.1021/jm200325s
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 20000.0 nM 10.1021/jm030109s
Homo sapiens Poly [ADP-ribose] polymerase-1 IC50 22000.0 nM 10.1021/jm010116l
Homo sapiens Poly [ADP-ribose] polymerase-1 Inhibition 59.29 % 10.1016/j.bmcl.2015.04.013
Homo sapiens SH-SY5Y Potency 3162.3 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 1258.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 35.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 100000.0 nM None
Rattus norvegicus H9c2 Activity nan None 10.1021/acs.jmedchem.5b01033
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 5972.8 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 14.46 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.01 % 10.6019/CHEMBL4495565
None ADMET Log Phep -2.45 None 10.1021/jm00076a002
None No relevant target LogD 0.64 None 10.1016/j.bmc.2012.01.014
None No relevant target LogP -2.67 None 10.1021/jm010289a
None No relevant target LogP -2.3 None 10.1021/jm00390a002
None No relevant target LogP -1.54 None 10.1021/jm00390a002
None No relevant target LogP -0.71 None 10.1021/jm00390a002
None No relevant target LogP -0.22 None 10.1021/jm00390a002
None No relevant target LogP 0.11 None 10.1021/jm00218a017
None No relevant target LogP 0.11 None 10.1021/jm00390a002
None No relevant target LogP 0.64 None 10.1021/jm00218a017
None No relevant target LogP 0.64 None 10.1021/jm00390a002
None No relevant target LogP 0.65 None 10.1021/jm00076a002
None No relevant target LogP 0.66 None 10.1021/jm00076a002
None No relevant target LogP 0.67 None 10.1021/jm010289a
None No relevant target Log PNalk -2.28 None 10.1021/jm048980b
None No relevant target Log S -0.96 None 10.1016/s0960-894x(00)00172-4
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Inhibition 15.0 % 10.1128/aac.01458-06
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked log1/Ki 2.0 None 10.1021/jm00214a029
None Unchecked Potency 50.1 nM None
None Unchecked Potency 1778.3 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT015792 N#Cc1ccccc1>>NC(=O)c1ccccc1 R05596
AKRT017278 NC(=O)c1ccccc1>>O=C(NO)c1ccccc1 enzymemap_77313
AKRT017279 NC(=O)c1ccccc1>>O=C(O)c1ccccc1 R05590
AKRT017280 NC(=O)c1ccccc1>>ON=C(O)c1ccccc1 MNXR129450
AKRT022469 O=C(NC(O)C(=O)O)c1ccccc1>>NC(=O)c1ccccc1 enzymemap_85795
AKRT022507 O=C(N[C@@H](O)C(=O)O)c1ccccc1>>NC(=O)c1ccccc1 enzymemap_85788