General Information of the Compound
Compound ID
CP0133551
Compound Name
3-(2-Dipropylamino-ethyl)-1H-indol-5-ol
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Structure
Formula
C16H24N2O
Molecular Weight
260.381
Canonical SMILES
CCCN(CCC)CCc1c[nH]c2ccc(O)cc12
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InChI
InChI=1S/C16H24N2O/c1-3-8-18(9-4-2)10-7-13-12-17-16-6-5-14(19)11-15(13)16/h5-6,11-12,17,19H,3-4,7-10H2,1-2H3
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InChIKey
CWMOGUBWVJQDSL-UHFFFAOYSA-N
CAS
36288-75-2
Physicochemical Property
logP
3.538
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
39.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 169764
SID: 15866101
ChEMBL ID
CHEMBL141706
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: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 820 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 820 nM
   TI
   LI
   LO
   TS