Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0I3XV
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| Former ID |
DNC011892
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| Drug Name |
RTI-5989-25
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| Synonyms |
RTI-5989-25; CHEMBL52451; ZINC13532660; BDBM50064515; 3-[3,4-Dimethyl-1-(3-o-tolyl-allyl)-piperidin-4-yl]-phenol; 3-[(3R,4R)-3,4-Dimethyl-1-(3-o-tolyl-allyl)-piperidin-4-yl]-phenol; 3-[(3R)-1-[(E)-3-(2-Methylphenyl)allyl]-3alpha,4beta-dimethyl-4-piperidinyl]phenol
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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 |
C23H29NO
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| Canonical SMILES |
CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC=CC3=CC=CC=C3C
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| InChI |
1S/C23H29NO/c1-18-8-4-5-9-20(18)10-7-14-24-15-13-23(3,19(2)17-24)21-11-6-12-22(25)16-21/h4-12,16,19,25H,13-15,17H2,1-3H3/b10-7+/t19-,23+/m0/s1
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| InChIKey |
FJFLDQXXCJUUBR-XECBNOGISA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [1] |
| Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Opioid prodynorphin pathway | ||||
| Enkephalin release | ||||
| Opioid proenkephalin pathway | ||||
| Opioid proopiomelanocortin pathway | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Investigation of the N-substituent conformation governing potency and mu receptor subtype-selectivity in (+)-(3R, 4R)-dimethyl-4-(3-hydroxyphenyl)p... J Med Chem. 1998 May 21;41(11):1980-90. | |||
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