General Information of the Compound
| Compound ID |
CP0041493
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| Compound Name |
Clobenpropit
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| Synonyms |
145231-45-4
3-(1H-imidazol-4-yl)propyl ((4-chlorophenyl)methyl)carbamimidothioate
3-(1H-imidazol-4-yl)propyl N-(4-chlorobenzyl)carbamimidothioate
3-(1h-imidazol-5-yl)propyl n'-(4-chlorobenzyl)carbamimidothioate
CHEBI:64177
Carbamimidothioic acid, ((4-chlorophenyl)methyl)-, 3-(1H-imidazol-4-yl)propyl ester
Carbamimidothioic acid,N-[(4-chlorophenyl)methyl]-, 3-(1H-imidazol-5-yl)propyl ester
Clobenpropit
RKU631JF4H
S-(3-(4(5)-Imidazolyl))propyl-N-(4-chlorobenzyl)isothiourea
UNII-RKU631JF4H
Vuf 9153
Vuf-9153
clobenpropit
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| Structure |
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| Formula |
C14H17ClN4S
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| Molecular Weight |
308.838
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| Canonical SMILES |
NC(SCCCc1cnc[nH]1)=NCc1ccc(Cl)cc1
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| InChI |
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)
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| InChIKey |
UCAIEVHKDLMIFL-UHFFFAOYSA-N
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| CAS |
145231-45-4
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03665, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Protein ID: PT01173, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Protein ID: PT04730, Histamine H4 receptor
Clinical Information about the Compound
Drug 1 ( Clobenpropit )
| Drug Name | Clobenpropit | ||
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| Target(s) |
Histamine H4 receptor (H4R)
Agonist
Histamine H3 receptor (H3R)
Antagonist
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