General Information of the Compound
| Compound ID |
CP0041262
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| Compound Name |
5-chloro-2-[(4-methylpiperazin-1-yl)carbonyl]-1H-indole
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| Synonyms |
[3H]-JNJ7777120
(5-chloro-1H-indol-2-yl)(4-methylpiperazin-1-yl)methanone
(5-chloro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
1-((5-chloro-1H-indol-2-yl)carbonyl)-4-methylpiperazine
1-[(5-CHLORO-1H-INDOL-2-YL)CARBONYL]-4-METHYL-PIPERAZINE
1-[(5-Chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine
1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine
459168-41-3
4H1AU2V37X
CHEMBL129198
HUQJRYMLJBBEDO-UHFFFAOYSA-N
JNJ 7777120
JNJ-7777120
JNJ7777120
METHANONE, (5-CHLORO-1H-INDOL-2-YL)(4-METHYL-1-PIPERAZINYL)-
STK175446
UNII-4H1AU2V37X
[3H]-JNJ7777120
[3H]JNJ 7777120
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| Structure |
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| Formula |
C14H16ClN3O
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| Molecular Weight |
277.755
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1cc2cc(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C14H16ClN3O/c1-17-4-6-18(7-5-17)14(19)13-9-10-8-11(15)2-3-12(10)16-13/h2-3,8-9,16H,4-7H2,1H3
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| InChIKey |
HUQJRYMLJBBEDO-UHFFFAOYSA-N
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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: PT01206, Histamine H1 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT04730, Histamine H4 receptor
Cell-based Assay
Protein ID: PT02519, Histamine H4 receptor
Protein ID: PT01711, Histamine H4 receptor
Cell-based Assay
Protein ID: PT00122, Histamine H4 receptor
Clinical Information about the Compound