Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0PM5R
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| Former ID |
DIB018734
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| Drug Name |
AB-MECA
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| Synonyms |
AB-MECA; 152918-26-8; (2S,3S,4R,5R)-5-[6-[(4-aminophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide; AB-MECA, solid; AC1NSJSB; [3H]AB-MECA; GTPL416; SCHEMBL16585151; CTK8E8476; BDBM21242; DTXSID70415501; LDYMCRRFCMRFKB-MOROJQBDSA-N; MolPort-003-940-100; ZINC4475069; AKOS030526575; CS-5220; NCGC00162075-03; NCGC00162075-02; NCGC00162075-01; HY-19365; RT-011146; N6-(4-Aminobenzyl)-N-methylcarboxamidoadenosine; J-008959; 5'-Methylamino-N-(4-aminobenzyl)-5'-oxo-5'-deoxyadenosine
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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 |
C18H21N7O4
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| Canonical SMILES |
CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)NCC4=CC=C(C=C4)N)O)O
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| InChI |
1S/C18H21N7O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6,19H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1
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| InChIKey |
LDYMCRRFCMRFKB-MOROJQBDSA-N
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| CAS Number |
CAS 152918-26-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A2b receptor (ADORA2B) | Target Info | Agonist | [2] |
| Adenosine A3 receptor (ADORA3) | Target Info | Agonist | [3] | |
| KEGG Pathway | Rap1 signaling pathway | |||
| Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Vascular smooth muscle contraction | ||||
| Alcoholism | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| TCR Signaling Pathway | ||||
| Pathwhiz Pathway | Intracellular Signalling Through Adenosine Receptor A2b and Adenosine | |||
| Pathway Interaction Database | C-MYB transcription factor network | |||
| Reactome | Adenosine P1 receptors | |||
| G alpha (s) signalling events | ||||
| Surfactant metabolism | ||||
| G alpha (i) signalling events | ||||
| WikiPathways | Nucleotide GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| 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: 416). | |||
| REF 2 | Comparative pharmacology of human adenosine receptor subtypes - characterization of stably transfected receptors in CHO cells. Naunyn Schmiedebergs Arch Pharmacol. 1998 Jan;357(1):1-9. | |||
| REF 3 | [(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors. Mol Pharmacol. 2000 May;57(5):968-75. | |||
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