Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0RM7J
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| Former ID |
DIB021036
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| Drug Name |
Teijin-lead_cmp_5
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| Synonyms |
CHEMBL337246; Teijin-lead_cmp_5; GTPL785; SCHEMBL9912177; BDBM50133112; (R)-N-(2-(1-(2,4-dimethylbenzyl)pyrrolidin-3-ylamino)-2-oxoethyl)-3-(trifluoromethyl)benzamide; N-{[(R)-1-(2,4-Dimethyl-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C23H26F3N3O2
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| Canonical SMILES |
CC1=CC(=C(C=C1)CN2CCC(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)C
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| InChI |
1S/C23H26F3N3O2/c1-15-6-7-18(16(2)10-15)13-29-9-8-20(14-29)28-21(30)12-27-22(31)17-4-3-5-19(11-17)23(24,25)26/h3-7,10-11,20H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t20-/m1/s1
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| InChIKey |
MRRGKBBDXLJMCV-HXUWFJFHSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-C chemokine receptor type 2 (CCR2) | Target Info | Antagonist | [2] |
| KEGG Pathway | Cytokine-cytokine receptor interaction | |||
| Chemokine signaling pathway | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| TGF_beta_Receptor Signaling Pathway | ||||
| Leptin Signaling Pathway | ||||
| RANKL Signaling Pathway | ||||
| Panther Pathway | Inflammation mediated by chemokine and cytokine signaling pathway | |||
| Reactome | Beta defensins | |||
| Chemokine receptors bind chemokines | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Defensins | ||||
| Spinal Cord Injury | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 785). | |||
| REF 2 | CCR2: characterization of the antagonist binding site from a combined receptor modeling/mutagenesis approach. J Med Chem. 2003 Sep 11;46(19):4070-86. | |||
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