Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D08DQL
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| Former ID |
DIB020568
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| Drug Name |
NPPB
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| Synonyms |
5-Nitro-2-(3-phenylpropylamino)benzoic acid; 107254-86-4; UNII-3A35O9G3YZ; 5-nitro-2-[(3-phenylpropyl)amino]benzoic acid; 3A35O9G3YZ; CHEBI:34457; Benzoic acid,5-nitro-2-[(3-phenylpropyl)amino]-; Benzoic acid, 5-nitro-2-((3-phenylpropyl)amino)-; 5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]; 5-NITRO-2-(3-PHENYLPROPYLAMINO)-BENZOIC ACID; 5-Nitro-2-(3-phenylpropylamino)benzoic Acid (NPPB); SR-01000075336; HOE-144; HOE 144; Tocris-0593; Spectrum_001814; ACMC-20c9kv; AC1L1IEV; Spectrum4_000338; Spectrum2_001477; HOE 144; 5-nitro-2-(3-phenylpropylamino) benzoic acid
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C16H16N2O4
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| Canonical SMILES |
C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O
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| InChI |
1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)
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| InChIKey |
WBSMIPAMAXNXFS-UHFFFAOYSA-N
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| CAS Number |
CAS 107254-86-4
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| PubChem Compound ID | ||||
| PubChem Substance ID |
586294, 6577388, 7978604, 8150027, 8152803, 11111539, 11113585, 11120005, 11120493, 11120981, 11147088, 11335794, 11361033, 11364722, 11367284, 11369846, 11372794, 11373854, 11378010, 11462005, 11485169, 11489293, 11491333, 11492153, 11495628, 14849531, 17405418, 22391556, 24277859, 26680096, 26681498, 26751788, 26751789, 26751790, 26759252, 29223640, 46487922, 46500489, 47216531, 47736204, 48034834, 48184731, 48258946, 50070434, 50071074, 50104479, 50104480, 50104481, 50104482, 50277869
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| ChEBI ID |
CHEBI:34457
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Calcium-dependent chloride channel anoctamin (ANO) | Target Info | Blocker (channel blocker) | [3] |
| Chloride channel protein 2 (CLC-2) | Target Info | Blocker (channel blocker) | [4] | |
| Chloride channel protein 7 (ClC-7) | Target Info | Blocker (channel blocker) | [5] | |
| Permeability pathway (NP pathway) | Target Info | Inhibitor | [1] | |
| Transformation-sensitive protein p120 (TRPA1) | Target Info | Activator | [6] | |
| Volume regulated chloride channel (VRAC) | Target Info | Blocker (channel blocker) | [7] | |
| KEGG Pathway | Mineral absorption | |||
| Inflammatory mediator regulation of TRP channels | ||||
| Reactome | Stimuli-sensing channels | |||
| TRP channels | ||||
| WikiPathways | Iron uptake and transport | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel molecular targets for antimalarial drug development. Chem Biol Drug Des. 2008 Apr;71(4):287-97. | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4270). | |||
| REF 3 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 708). | |||
| REF 4 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 699). | |||
| REF 5 | The G215R mutation in the Cl-/H+-antiporter ClC-7 found in ADO II osteopetrosis does not abolish function but causes a severe trafficking defect. PLoS One. 2010 Sep 7;5(9):e12585. | |||
| REF 6 | NPPB structure-specifically activates TRPA1 channels. Biochem Pharmacol. 2010 Jul 1;80(1):113-21. | |||
| REF 7 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 710). | |||
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