Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D07BAO
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| Former ID |
DNC005845
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| Drug Name |
(R)-3-Prop-2-ynylamino-indan-5-ol
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| Synonyms |
5-Hydroxy-N-propargyl-1(R)-aminoindan; 5-HYDROXY-N-PROPARGYL-1(R)-AMINOINDAN; CHEMBL371428; 6-hydroxy-n-propargyl-1(r)-aminoindan; (3R)-3-(PROP-2-YNYLAMINO)INDAN-5-OL; (3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-ol; R-HPAI; AC1NRD0T; Aminoindan deriv (R)39u; SCHEMBL4188273; BDBM10799; 1H-Inden-5-ol, 2,3-dihydro-3-(2-propyn-1-ylamino)-, (3R)-; DB04307; 479206-03-6; 5-Hydroxy-N-Propargyl-1(R)-Aminoindan
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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 |
C12H13NO
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| Canonical SMILES |
C#CCNC1CCC2=C1C=C(C=C2)O
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| InChI |
1S/C12H13NO/c1-2-7-13-12-6-4-9-3-5-10(14)8-11(9)12/h1,3,5,8,12-14H,4,6-7H2/t12-/m1/s1
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| InChIKey |
NRSDGDXUWMMUEV-GFCCVEGCSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Monoamine oxidase type B (MAO-B) | Target Info | Inhibitor | [1], [2] |
| BioCyc | Superpathway of tryptophan utilization | |||
| Tryptophan degradation via tryptamine | ||||
| Dopamine degradation | ||||
| Putrescine degradation III | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Glycine, serine and threonine metabolism | |||
| Arginine and proline metabolism | ||||
| Histidine metabolism | ||||
| Tyrosine metabolism | ||||
| Phenylalanine metabolism | ||||
| Tryptophan metabolism | ||||
| Drug metabolism - cytochrome P450 | ||||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Dopaminergic synapse | ||||
| Cocaine addiction | ||||
| Amphetamine addiction | ||||
| Alcoholism | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| 5-Hydroxytryptamine degredation | ||||
| Dopamine receptor mediated signaling pathway | ||||
| Pathway Interaction Database | Alpha-synuclein signaling | |||
| WikiPathways | Tryptophan metabolism | |||
| Dopamine metabolism | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. | |||
| REF 2 | Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4438-46. | |||
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