General Information of the Compound
Compound ID
CP0157151
Compound Name
9,10-dihydroanthracene(DHA), 1a
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Synonyms
9-(Aminomethyl)-9,10-dihydroanthracene
C-(9,10-Dihydro-anthracen-9-yl)-methylamine
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Structure
Formula
C15H15N
Molecular Weight
209.292
Canonical SMILES
NCC1c2ccccc2Cc2ccccc12
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InChI
InChI=1S/C15H15N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-8,15H,9-10,16H2
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InChIKey
GEICAQNIOJFRQN-UHFFFAOYSA-N
Physicochemical Property
logP
2.6814
Rotatable Bonds
1
Heavy Atom Count
16
Polar Areas
26.02
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
16

"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: 10398175
SID: 15414464
ChEMBL ID
CHEMBL47482
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: PT01492, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 20 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20 nM
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  2
1
Ki = 20 nM
   TI
   LI
   LO
   TS
2
Ki = 57 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 20 nM
Protein ID: PT05193, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 43 nM
   TI
   LI
   LO
   TS
Protein ID: PT00867, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01607, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01609, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 9-(Aminomethyl)-9,10-dihydroanthracene )
Drug Name 9-(Aminomethyl)-9,10-dihydroanthracene
Target(s)
5-HT 2A receptor (HTR2A)
Inhibitor
Histamine H1 receptor (H1R)
Inhibitor