General Information of the Compound
Compound ID
CP0044585
Compound Name
1-((S)-2-aminopropyl)-1H-indazol-6-ol
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Synonyms
1-((S)-2-aminopropyl)-1H-indazol-6-ol
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Structure
Formula
C10H13N3O
Molecular Weight
191.234
Canonical SMILES
C[C@H](N)Cn1ncc2ccc(O)cc12
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InChI
InChI=1S/C10H13N3O/c1-7(11)6-13-10-4-9(14)3-2-8(10)5-12-13/h2-5,7,14H,6,11H2,1H3/t7-/m0/s1
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InChIKey
WBYHTZYHAFNBKW-ZETCQYMHSA-N
Physicochemical Property
logP
1.0891
Rotatable Bonds
2
Heavy Atom Count
14
Polar Areas
64.07
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
14

"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: 135453290
SID: 15171528
ChEMBL ID
CHEMBL371300
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: PT00819, 5-hydroxytryptamine receptor 1A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1460 nM
   TI
   LI
   LO
   TS
2
Ki = 141 nM
   TI
   LI
   LO
   TS
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
Ki = 12 nM
   TI
   LI
   LO
   TS
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
Ki = 8.1 nM
   TI
   LI
   LO
   TS
Protein ID: PT01480, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
EC50 = 3.7 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)  1
1
Ki = 3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01650, Alpha-2A adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 = 2600 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 2270 nM
   TI
   LI
   LO
   TS
Protein ID: PT02026, Alpha-2B adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000422 OK Didelphis virginiana (North American opossum)  1
1
EC50 = 3050 nM
   TI
   LI
   LO
   TS
Protein ID: PT01598, Alpha-2C adrenergic receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 4700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-((S)-2-aminopropyl)-1H-indazol-6-ol )
Drug Name 1-((S)-2-aminopropyl)-1H-indazol-6-ol
Target(s)
5-HT 1D receptor (HTR1D)
Inhibitor
Adrenergic receptor alpha-2C (ADRA2C)
Inhibitor
5-HT 2B receptor (HTR2B)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor
Adrenergic receptor alpha-2A (ADRA2A)
Inhibitor
5-HT 4 receptor (HTR4)
Inhibitor