Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0C0EO
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| Former ID |
DNC003749
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| Drug Name |
CP-105696
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| Synonyms |
CP-105696; UNII-Z7354TW4BM; CP 105696; CP-105,696; CP105696; CHEMBL51770; Z7354TW4BM; 158081-99-3; Pfizer 105696; 1-(3-(4-phenylbenzyl)-4-hydroxychroman-7-yl)cyclopentane-1-carboxylic acid; DSSTox_RID_82258; DSSTox_CID_27308; DSSTox_GSID_47308; Cyclopentanecarboxylic acid, 1-((3S,4R)-3-((1,1'-biphenyl)-4-ylmethyl)-3,4-dihydro-4-hydroxy-2H-1-benzopyran-7-yl)-; SCHEMBL1898224; GTPL3368; DTXSID7047308; Tox21_300468; BDBM50037218; 1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic Acid
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| Drug Type |
Small molecular drug
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| Indication | Inflammatory bowel disease [ICD-11: DD72; ICD-10: K50-K52] | Discontinued in Phase 1 | [1], [2] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C28H28O4
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| Canonical SMILES |
C1CCC(C1)(C2=CC3=C(C=C2)C(C(CO3)CC4=CC=C(C=C4)C5=CC=CC=C5)O)C(=O)O
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| InChI |
1S/C28H28O4/c29-26-22(16-19-8-10-21(11-9-19)20-6-2-1-3-7-20)18-32-25-17-23(12-13-24(25)26)28(27(30)31)14-4-5-15-28/h1-3,6-13,17,22,26,29H,4-5,14-16,18H2,(H,30,31)/t22-,26+/m0/s1
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| InChIKey |
KMNLXCBYBKHKSK-BKMJKUGQSA-N
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| CAS Number |
CAS 158081-99-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Leukotriene B4 receptor 1 (LTB4R) | Target Info | Inhibitor | [3] |
| Leukotriene B4 receptor 2 (LTB4R2) | Target Info | Inhibitor | [3] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Calcium signaling pathway | ||||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Leukotriene receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Spinal Cord Injury | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | 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: 3368). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800005644) | |||
| REF 3 | 3-Substituted-4-hydroxy-7-chromanylacetic acid derivatives as antagonists of the leukotriene B4 (LTB4) receptor, Bioorg. Med. Chem. Lett. 7(17):2307-2312 (1997). | |||
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