General Information of the Compound
Compound ID
CP0261440
Compound Name
SB 215505
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Synonyms
SB 215505
SB-215,505
SB-215505
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Structure
Formula
C19H16ClN3O
Molecular Weight
337.81
Canonical SMILES
Cc1cc2CCN(C(=O)Nc3cccc4ncccc34)c2cc1Cl
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InChI
InChI=1S/C19H16ClN3O/c1-12-10-13-7-9-23(18(13)11-15(12)20)19(24)22-17-6-2-5-16-14(17)4-3-8-21-16/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
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InChIKey
HOVMHIRTZYQSKM-UHFFFAOYSA-N
Physicochemical Property
logP
4.79122
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
45.23
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
24

"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).

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PubChem ID
CID: 10449757
SID: 15471136
ChEMBL ID
CHEMBL2110371
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
IC50 = 13 nM
   TI
   LI
   LO
   TS
2
IC50 = 64 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB 215505 )
Drug Name SB 215505
Target(s)
5-HT 2A receptor (HTR2A)
Antagonist
5-HT 2B receptor (HTR2B)
Antagonist
5-HT 2C receptor (HTR2C)
Antagonist