Drug Information
Drug General Information | Top | |||
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Drug ID |
D0L5TJ
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Former ID |
DNC004941
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Drug Name |
A-131701
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Synonyms |
A-131701; CHEMBL40650; SCHEMBL7637490; BDBM50060965; 2-[2-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione; 2-[2-((3aR,9bR)-6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-ethyl]-4H-9-thia-2,4,5-triaza-fluorene-1,3-dione
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Drug Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C24H24N4O3S
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Canonical SMILES |
COC1=CC=CC2=C1CCC3C2CN(C3)CCN4C(=O)C5=C(C6=C(S5)C=CC=N6)NC4=O
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InChI |
1S/C24H24N4O3S/c1-31-18-5-2-4-15-16(18)8-7-14-12-27(13-17(14)15)10-11-28-23(29)22-21(26-24(28)30)20-19(32-22)6-3-9-25-20/h2-6,9,14,17H,7-8,10-13H2,1H3,(H,26,30)/t14-,17+/m0/s1
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InChIKey |
OLPQNRLJYOGSGV-WMLDXEAASA-N
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Adrenergic receptor alpha-1A (ADRA1A) | Target Info | Inhibitor | [1] |
KEGG Pathway | Calcium signaling pathway | |||
cGMP-PKG signaling pathway | ||||
Neuroactive ligand-receptor interaction | ||||
AMPK signaling pathway | ||||
Adrenergic signaling in cardiomyocytes | ||||
Vascular smooth muscle contraction | ||||
Salivary secretion | ||||
Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
Reactome | Adrenoceptors | |||
G alpha (q) signalling events | ||||
G alpha (12/13) signalling events | ||||
WikiPathways | Monoamine GPCRs | |||
Calcium Regulation in the Cardiac Cell | ||||
GPCRs, Class A Rhodopsin-like | ||||
Gastrin-CREB signalling pathway via PKC and MAPK | ||||
Endothelin Pathways | ||||
GPCR ligand binding | ||||
GPCR downstream signaling | ||||
AMPK Signaling |
References | Top | |||
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REF 1 | Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64. |
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