Compound Detail

CHEMBL15750

NITROBENZENE

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O=[N+]([O-])c1ccccc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL15750
Name	NITROBENZENE
Phase	Preclinical
Structure Type	MOL
InChI Key	LQNUZADURLCDLV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

123.1

MW (Da)

1.59

ALogP

HBA

HBD

43.1

PSA (Å²)

0.42

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 1 meas.

Ki 1 meas.

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	391
6167716	10.1021/jm00135a006	ADMET	8
894678	10.1021/jm00218a017	No relevant target	4
18558667	10.1021/jm701549s	No relevant target	4
21795044	10.1016/j.bmcl.2011.07.002	Glutathione reductase, mitochondrial	2
18295489	10.1016/j.bmc.2007.11.029	Rattus norvegicus	2
11754587	10.1021/jm010289a	No relevant target	2
6167716	10.1021/jm00135a006	No relevant target	1
33569941	10.1021/acs.jmedchem.0c01901	No relevant target	1
19056282	10.1016/j.bmc.2008.11.040	ADMET	1
15857133	10.1021/jm048980b	No relevant target	1
2033592	10.1021/jm00109a021	Lithobates pipiens	1
2033592	10.1021/jm00109a021	ADMET	1
3882967	10.1021/jm00381a013	No relevant target	1
2993621	10.1021/jm00147a037	No relevant target	1
1995902	10.1021/jm00106a046	No relevant target	1
1995902	10.1021/jm00106a046	Salmonella typhimurium	1
10866370	10.1016/s0960-894x(00)00172-4	No relevant target	1
3172126	10.1021/jm00118a010	Albumin	1
3172126	10.1021/jm00118a010	No relevant target	1

Data from ChEMBL 36 via Core Engine