General Information of the Compound
Compound ID
CP0079728
Compound Name
5-chloro-4-methyl-1,4-dihydroquinazolin-2-amine
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Synonyms
2-Quinazolinamine, 5-chloro-1,4-dihydro-4-methyl-
5-Chloro-4-methyl-1,4-dihydroquinazolin-2-amine
5-chloro-4-methyl-3,4-dihydroquinazolin-2-amine
918134-82-4
BDBM50371466
CHEMBL270177
CTK3H8599
DTXSID00581041
SCHEMBL1381915
XFMPGBXLGWZMQP-UHFFFAOYSA-N
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Structure
Formula
C9H10ClN3
Molecular Weight
195.653
Canonical SMILES
CC1NC(N)=Nc2cccc(Cl)c12
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InChI
InChI=1S/C9H10ClN3/c1-5-8-6(10)3-2-4-7(8)13-9(11)12-5/h2-5H,1H3,(H3,11,12,13)
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InChIKey
XFMPGBXLGWZMQP-UHFFFAOYSA-N
Physicochemical Property
logP
1.9504
Rotatable Bonds
0
Heavy Atom Count
13
Polar Areas
50.41
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
13

"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: 16006492
SID: 24382548
ChEMBL ID
CHEMBL270177
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 = 192 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 = 1272 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 = 152 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
Kd = 3.02 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 5.012 nM
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 = 15.9 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 15.85 nM
Clinical Information about the Compound
Drug 1 ( 5-chloro-4-methyl-3,4-dihydroquinazolin-2-amine )
Drug Name 5-chloro-4-methyl-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 7 receptor (HTR7)
Inhibitor
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 5A receptor (HTR5A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor