Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0T8OD
|
|||
| Former ID |
DNC000449
|
|||
| Drug Name |
Clobenpropit
|
|||
| Synonyms |
clobenpropit; 145231-45-4; Vuf-9153; Vuf 9153; UNII-RKU631JF4H; S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea; CHEBI:64177; RKU631JF4H; 3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate; 3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate; Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester; 3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate; Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H17ClN4S
|
|||
| Canonical SMILES |
C1=CC(=CC=C1CN=C(N)SCCCC2=CN=CN2)Cl
|
|||
| InChI |
1S/C14H17ClN4S/c15-12-5-3-11(4-6-12)8-18-14(16)20-7-1-2-13-9-17-10-19-13/h3-6,9-10H,1-2,7-8H2,(H2,16,18)(H,17,19)
|
|||
| InChIKey |
UCAIEVHKDLMIFL-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 145231-45-4
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
5527870, 7978963, 11113684, 14825609, 26751870, 29221945, 46387016, 47285823, 47880062, 49846355, 50064442, 52669832, 53786950, 56189213, 57321461, 85209029, 85217202, 85787566, 92308565, 96024155, 103122768, 103177239, 103948188, 104301619, 117462906, 124659143, 125335692, 129346746, 134339871, 135066703, 135610794, 135650109, 137185855, 142667102, 144089087, 162022319, 162220959, 172080540, 179148467, 179293846, 184591678, 198948919, 226432891, 233838136, 252347508, 252431987
|
|||
| ChEBI ID |
CHEBI:64177
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Histamine H3 receptor (H3R) | Target Info | Antagonist | [2], [3] |
| Histamine H4 receptor (H4R) | Target Info | Agonist | [4], [5] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Histamine receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | GPCR ligand binding | |||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| Monoamine Transport | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| 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: 1223). | |||
| REF 2 | The histamine H3 receptor: from gene cloning to H3 receptor drugs. Nat Rev Drug Discov. 2005 Feb;4(2):107-20. | |||
| REF 3 | Combined histamine H1 and H3 receptor blockade produces nasal decongestion in an experimental model of nasal congestion. Am J Rhinol. 1999 Sep-Oct;13(5):391-9. | |||
| REF 4 | Clobenpropit analogs as dual activity ligands for the histamine H3 and H4 receptors: synthesis, pharmacological evaluation, and cross-target QSAR s... Bioorg Med Chem. 2009 Jun 1;17(11):3987-94. | |||
| REF 5 | The histamine H4 receptor is functionally expressed on T(H)2 cells. J Allergy Clin Immunol. 2009 Mar;123(3):619-25. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.