General Information of the Compound
Compound ID
CP0393077
Compound Name
5-chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
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Synonyms
2-Quinazolinamine, 5-chloro-4-ethyl-1,4-dihydro-
5-Chloro-4-ethyl-1,4-dihydroquinazolin-2-amine
5-chloro-4-ethyl-3,4-dihydroquinazolin-2-amine
918134-92-6
CHEMBL270176
CTK3H8593
DTXSID00659173
SCHEMBL3570857
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Structure
Formula
C10H12ClN3
Molecular Weight
209.68
Canonical SMILES
CCC1NC(N)=Nc2cccc(Cl)c12
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InChI
InChI=1S/C10H12ClN3/c1-2-7-9-6(11)4-3-5-8(9)14-10(12)13-7/h3-5,7H,2H2,1H3,(H3,12,13,14)
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InChIKey
MICIQKQOEFSTDP-UHFFFAOYSA-N
Physicochemical Property
logP
2.3405
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 44455973
ChEMBL ID
CHEMBL270176
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
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 1081 nM
   TI
   LI
   LO
   TS
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 380 nM
   TI
   LI
   LO
   TS
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 84.4 nM
   TI
   LI
   LO
   TS
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 97.4 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-chloro-4-ethyl-3,4-dihydroquinazolin-2-amine )
Drug Name 5-chloro-4-ethyl-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 5A receptor (HTR5A)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 7 receptor (HTR7)
Inhibitor