General Information of the Compound
Compound ID
CP0412420
Compound Name
(2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine
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Synonyms
(2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine
(S)-2-(7-Ethyl-1H-furo(2,3-g)indazol-1-yl)-1-methylethylamine
(S)-2-(7-ethyl-1H-furo[2,3-g]indazol-1-yl)-1-methylethylamine
1H-Furo(2,3-g)indazole-1-ethanamine, 7-ethyl-alpha-methyl-, (S)-
1H-Furo(2,3-g)indazole-1-ethanamine, 7-ethyl-alpha-methyl-, (alphaS)-
372163-84-3
AC1MIIFB
BDBM50375450
CHEMBL407909
CS-0018481
DTXSID50190708
GTPL230
HY-100330
LS-193532
SCHEMBL1981665
YM 348
YM-348
YM348
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Structure
Formula
C14H17N3O
Molecular Weight
243.31
Canonical SMILES
CCc1cc2c(ccc3cnn(C[C@H](C)N)c23)o1
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InChI
InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
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InChIKey
QLOOWOVVZLBYHU-VIFPVBQESA-N
CAS
372163-84-3
Physicochemical Property
logP
2.6921
Rotatable Bonds
3
Heavy Atom Count
18
Polar Areas
56.98
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 3045225
SID: 49691068
ChEMBL ID
CHEMBL407909
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)  2
1
EC50 = 93 nM
   TI
   LI
   LO
   TS
2
Ki = 13 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  2
1
EC50 = 3.2 nM
   TI
   LI
   LO
   TS
2
Ki = 2.5 nM
   TI
   LI
   LO
   TS
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)  2
1
EC50 = 1 nM
   TI
   LI
   LO
   TS
2
Ki = 0.89 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( YM-348 )
Drug Name YM-348
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2B receptor (HTR2B)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor