Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0M5DH
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| Former ID |
DNC000481
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| Drug Name |
CRA1000
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| Synonyms |
CRA-1000; CRA1000; UNII-3899V9A17F; 3899V9A17F; CRA 1000; 226948-11-4; 2-Pyrimidinamine, N-ethyl-4-(4-(3-fluorophenyl)-3,6-dihydro-1(2H)-pyridinyl)-6-methyl-N-(4-(1-methylethyl)-2-(methylthio)phenyl)-; 2-(N-(2-methylthio-4-isopropylphenyl)-N-ethylamino)-4-(4-(3-fluorophenyl)-1,2,3,6-tetrahydropyridin-1-yl)-6-methylpyrimidine; CHEMBL297986; SCHEMBL6171730; GTPL3498; PDSP2_001710; PDSP1_001727
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| Drug Type |
Small molecular drug
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| Indication | Anxiety disorder [ICD-11: 6B00-6B0Z; ICD-10: R45.0] | Preclinical | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C28H33FN4S
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| Canonical SMILES |
CCN(C1=C(C=C(C=C1)C(C)C)SC)C2=NC(=CC(=N2)N3CCC(=CC3)C4=CC(=CC=C4)F)C
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| InChI |
1S/C28H33FN4S/c1-6-33(25-11-10-22(19(2)3)18-26(25)34-5)28-30-20(4)16-27(31-28)32-14-12-21(13-15-32)23-8-7-9-24(29)17-23/h7-12,16-19H,6,13-15H2,1-5H3
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| InChIKey |
DDSMCPASYQDKFS-UHFFFAOYSA-N
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| CAS Number |
CAS 226948-11-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Corticotropin-releasing factor receptor 1 (CRHR1) | Target Info | Antagonist | [3] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Long-term depression | ||||
| NetPath Pathway | TNFalpha Signaling Pathway | |||
| Panther Pathway | Cortocotropin releasing factor receptor signaling pathway | |||
| Reactome | Class B/2 (Secretin family receptors) | |||
| G alpha (s) signalling events | ||||
| WikiPathways | GPCRs, Class B Secretin-like | |||
| Myometrial Relaxation and Contraction Pathways | ||||
| Corticotropin-releasing hormone | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 3498). | |||
| REF 2 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800010650) | |||
| REF 3 | A review of drug options in age-related macular degeneration therapy and potential new agents. Expert Opin Pharmacother. 2006 Dec;7(17):2355-68. | |||
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