Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K0KR
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| Former ID |
DNC004937
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| Drug Name |
AR-129330
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| Synonyms |
CHEMBL193438; CHEMBL537846; SCHEMBL3938380; SCHEMBL3941081; SCHEMBL3938377; CHEMBL1188966; NWUCPBLQECHRFK-QAQDUYKDSA-N; BDBM50170189; BDBM50166555; trans-4-bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide; 4-Bromo-N-{4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-2-trifluoromethoxy-benzenesulfonamide
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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 |
C25H30BrClF3N5O3S
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| Canonical SMILES |
CN(C)C1=NC(=NC2=CC=CC=C21)NCC3CCC(CC3)CNS(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F.Cl
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| InChI |
1S/C25H29BrF3N5O3S.ClH/c1-34(2)23-19-5-3-4-6-20(19)32-24(33-23)30-14-16-7-9-17(10-8-16)15-31-38(35,36)22-12-11-18(26)13-21(22)37-25(27,28)29;/h3-6,11-13,16-17,31H,7-10,14-15H2,1-2H3,(H,30,32,33);1H
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| InChIKey |
SMEDDEAAKQVMQD-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-2A (ADRA2A) | Target Info | Inhibitor | [1] |
| Melanin-concentrating hormone receptor 1 (MCHR1) | Target Info | Inhibitor | [1] | |
| Neuropeptide Y receptor type 5 (NPY5R) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| cGMP-PKG signaling pathway | ||||
| Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| G alpha (i) signalling events | ||||
| Adrenoceptors | ||||
| Adrenaline signalling through Alpha-2 adrenergic receptor | ||||
| Adrenaline,noradrenaline inhibits insulin secretion | ||||
| G alpha (z) signalling events | ||||
| Surfactant metabolism | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Monoamine GPCRs | ||||
| Platelet Aggregation (Plug Formation) | ||||
| Integration of energy metabolism | ||||
| Peptide GPCRs | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Lead optimization of 4-(dimethylamino)quinazolines, potent and selective antagonists for the melanin-concentrating hormone receptor 1. Bioorg Med Chem Lett. 2005 Sep 1;15(17):3853-6. | |||
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