General Information of the Compound
Compound ID
CP0172895
Compound Name
(S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
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Synonyms
(S)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)-2-propylamine
BDBM50176272
CHEMBL201930
SCHEMBL6605040
SDEXYLCQNBTWLI-JTQLQIEISA-N
VER-2692
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Structure
Formula
C14H15N3
Molecular Weight
225.295
Canonical SMILES
C[C@H](N)Cn1ccc2ccc3ncccc3c12
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InChI
InChI=1S/C14H15N3/c1-10(15)9-17-8-6-11-4-5-13-12(14(11)17)3-2-7-16-13/h2-8,10H,9,15H2,1H3/t10-/m0/s1
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InChIKey
SDEXYLCQNBTWLI-JTQLQIEISA-N
Physicochemical Property
logP
2.5367
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
43.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 10198431
SID: 15196074
ChEMBL ID
CHEMBL201930
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: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 32 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 31 nM
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 12 nM
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 2.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 1.6 nM
Clinical Information about the Compound
Drug 1 ( VER-2692 )
Drug Name VER-2692
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2B receptor (HTR2B)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor