General Information of the Compound
| Compound ID |
CP0055058
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| Compound Name |
3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol
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| Synonyms |
112192-04-8
119742-13-1 (mesylate)
3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol
3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol
43227SMS0O
AC1L55YV
AC1Q7AGH
CAS-112192-04-8
CHEBI:48558
CHEMBL431367
DSSTox_CID_23895
DSSTox_GSID_43895
DSSTox_RID_80082
DTXSID5043895
GTPL52
NCGC00025216-01
ROXINDOLE
Roxindole
Roxindole [INN]
SCHEMBL49673
Tocris-1559
UNII-43227SMS0O
ZINC1548439
roxindol
roxindole[inn]
roxindolum
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| Structure |
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| Formula |
C23H26N2O
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| Molecular Weight |
346.474
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| Canonical SMILES |
Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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| InChIKey |
HGEYJZMMUGWEOT-UHFFFAOYSA-N
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| CAS |
112192-04-8
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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: PT01448, 5-hydroxytryptamine receptor 1A
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor
Clinical Information about the Compound