General Information of the Compound
Compound ID
CP0371440
Compound Name
5-chloro-1,4-dihydroquinazolin-2-amine
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Synonyms
109319-86-0
2-Amino-5-chlor-3,4-dihydrochinazolin
5-chloro-3,4-dihydroquinazolin-2-amine
CHEMBL401541
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Structure
Formula
C8H8ClN3
Molecular Weight
181.626
Canonical SMILES
NC1=Nc2cccc(Cl)c2CN1
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InChI
InChI=1S/C8H8ClN3/c9-6-2-1-3-7-5(6)4-11-8(10)12-7/h1-3H,4H2,(H3,10,11,12)
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InChIKey
UDUQYNVUNNDSEJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.3894
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 13702393
ChEMBL ID
CHEMBL401541
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 = 1701 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 = 3594 nM
   TI
   LI
   LO
   TS
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 1164 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 = 658 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 = 99 nM
   TI
   LI
   LO
   TS
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
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: 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 = 793 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-chloro-3,4-dihydroquinazolin-2-amine )
Drug Name 5-chloro-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 7 receptor (HTR7)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 3A receptor (HTR3A)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 5A receptor (HTR5A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor