General Information of the Compound
Compound ID
CP0496556
Compound Name
8-methoxy-4-methyl-1,4-dihydroquinazolin-2-amine
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Synonyms
2-Quinazolinamine, 1,4-dihydro-8-methoxy-4-methyl-
8-Methoxy-4-methyl-3,4-dihydro-quinazolin-2-ylamine
8-methoxy-4-methyl-3,4-dihydroquinazolin-2-amine
918136-34-2
BDBM50371445
CHEMBL408152
SCHEMBL1382388
SCKPQZMXGISHHF-UHFFFAOYSA-N
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Structure
Formula
C10H13N3O
Molecular Weight
191.234
Canonical SMILES
COc1cccc2C(C)NC(N)=Nc12
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InChI
InChI=1S/C10H13N3O/c1-6-7-4-3-5-8(14-2)9(7)13-10(11)12-6/h3-6H,1-2H3,(H3,11,12,13)
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InChIKey
SCKPQZMXGISHHF-UHFFFAOYSA-N
Physicochemical Property
logP
1.3056
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
59.64
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: 16006606
SID: 24382662
ChEMBL ID
CHEMBL408152
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 = 32 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 = 446 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 = 556 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 = 6.3 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 = 8.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 8-methoxy-4-methyl-3,4-dihydroquinazolin-2-amine )
Drug Name 8-methoxy-4-methyl-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 7 receptor (HTR7)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 5A receptor (HTR5A)
Inhibitor