General Information of the Compound
| Compound ID |
CP0018897
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| Compound Name |
1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
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| Synonyms |
1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(4-(2
1-(5-TERT-BUTYL-2-P-TOLYL-2H-PYRAZOL-3-YL)-3-[4-(2-MORPHOLIN-4-YL-ETHOXY)-NAPHTHALEN-1-YL]-UREA
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
285983-48-4
3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-1-{4-[2-(morpholin-4-yl)ethoxy]naphthalen-1-yl}urea
BIRB 796
BIRB 796 (Doramapimod)
BIRB-796
BIRB796
C31H37N5O3
CHEBI:40953
CHEMBL103667
Doramapimod
HO1A8B3YVV
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
UNII-HO1A8B3YVV
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| Structure |
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| Formula |
C31H37N5O3
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| Molecular Weight |
527.669
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
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| InChI |
InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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| InChIKey |
MVCOAUNKQVWQHZ-UHFFFAOYSA-N
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| CAS |
285983-48-4
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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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT03101, Heat shock protein beta-1
Protein ID: PT00861, Mitogen-activated protein kinase 14
Cell-based Assay
Biochemical Assays
Protein ID: PT02347, Tumor necrosis factor
Clinical Information about the Compound