General Information of the Compound
Compound ID
CP0327633
Compound Name
MDL-74156
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Synonyms
1-H-Indole-3-carboxylic acid, trans-octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester
10-hydroxy-8-azatricyclo[5.3.1.03,8]undec-5-yl 1h-indole-3-carboxylate
127951-99-9
1H-Indole-3-carboxylic acid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester
1H-Indole-3-carboxylicacid, octahydro-3-hydroxy-2,6-methano-2H-quinolizin-8-yl ester
AC1L4LYC
AC1Q60Y9
ACMC-20msnw
AKOS030254922
BDBM50412171
CHEMBL498572
CTK4B5810
Hydrodolasetron
J-005559
LS-172694
MDL-74156
Mdl 74156
Mdl-74156
SCHEMBL7281981
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Structure
Formula
C19H22N2O3
Molecular Weight
326.396
Canonical SMILES
OC1CN2C3CC(CC2CC1C3)OC(=O)c1c[nH]c2ccccc12
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InChI
InChI=1S/C19H22N2O3/c22-18-10-21-12-5-11(18)6-13(21)8-14(7-12)24-19(23)16-9-20-17-4-2-1-3-15(16)17/h1-4,9,11-14,18,20,22H,5-8,10H2
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InChIKey
MLWGAEVSWJXOQJ-UHFFFAOYSA-N
CAS
127951-99-9
Physicochemical Property
logP
2.3108
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
65.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 159502
SID: 14924134
ChEMBL ID
CHEMBL498572
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: PT00897, Potassium voltage-gated channel subfamily H member 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 5888.44 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12022.64 nM
Clinical Information about the Compound
Drug 1 ( MDL-74156 )
Drug Name MDL-74156
Target(s)
Voltage-gated potassium channel Kv11.1 (KCNH2)
 Target Info 
Inhibitor