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Compound Detail

CHEMBL14282

4-NITROANILINE
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Nc1ccc([N+](=O)[O-])cc1

Basic Information

ChEMBL ID CHEMBL14282
Name 4-NITROANILINE
Phase Preclinical
Structure Type MOL
InChI Key TYMLOMAKGOJONV-UHFFFAOYSA-N

Known Names

1-Amino-4-nitrobenzene
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
1
Known Names

Molecular Properties

138.1
MW (Da)
1.18
ALogP
3
HBA
1
HBD
69.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H6N2O2
MW 138.13
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
20627594 10.1016/j.bmc.2010.05.012 Prolyl endopeptidase 15
3599019 10.1021/jm00390a002 No relevant target 6
17418579 10.1016/j.bmc.2007.03.040 ADMET 5
13215 10.1021/jm00211a010 No relevant target 4
18295489 10.1016/j.bmc.2007.11.029 Rattus norvegicus 2
27265259 10.1016/j.bmcl.2016.05.064 Cytochrome P450 1A1 2
27265259 10.1016/j.bmcl.2016.05.064 Cytochrome P450 1B1 2
6708049 10.1021/jm00370a008 No relevant target 1
15857133 10.1021/jm048980b No relevant target 1
17418579 10.1016/j.bmc.2007.03.040 No relevant target 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
24657049 10.1016/j.bmc.2014.02.054 No relevant target 1
13215 10.1021/jm00211a010 Colon 1
13215 10.1021/jm00211a010 Small intestine 1
30826292 10.1016/j.bmcl.2019.02.025 Unchecked 1

Data from ChEMBL 36 via Core Engine