General Information of the Compound
Compound ID
CP0288744
Compound Name
5,6-dichloro-1,4-dihydroquinazolin-2-amine
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Synonyms
2-Amino-5,6-dichloro-3,4-dihydroquinazoline
2-Quinazolinamine, 5,6-dichloro-1,4-dihydro-
2-amino-5,6-dichloro-3,4dihydroquinazoline
444904-63-6
5,6-Dichloro-1,4-dihydro-2-quinazolinamine
5,6-dichloro-3,4-dihydroquinazolin-2-amine
AKOS030254941
Anagrelide impurity 5
BDBM50371434
CHEMBL1548
CTK1D2410
DTXSID80432648
FT-0722369
SCHEMBL1569300
VBKOTIVQMCTTAQ-UHFFFAOYSA-N
W-202785
ZINC29130869
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Structure
Formula
C8H7Cl2N3
Molecular Weight
216.071
Canonical SMILES
NC1=Nc2ccc(Cl)c(Cl)c2CN1
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InChI
InChI=1S/C8H7Cl2N3/c9-5-1-2-6-4(7(5)10)3-12-8(11)13-6/h1-2H,3H2,(H3,11,12,13)
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InChIKey
VBKOTIVQMCTTAQ-UHFFFAOYSA-N
Physicochemical Property
logP
2.0428
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: 9904281
SID: 15172031
ChEMBL ID
CHEMBL1548
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 = 1080 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 = 1265 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 = 434 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 = 208 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 = 43 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 = 1157 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 = 294 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5,6-dichloro-3,4-dihydroquinazolin-2-amine )
Drug Name 5,6-dichloro-3,4-dihydroquinazolin-2-amine
Target(s)
5-HT 1D receptor (HTR1D)
Inhibitor
5-HT 7 receptor (HTR7)
Inhibitor
5-HT 3A receptor (HTR3A)
Inhibitor
5-HT 6 receptor (HTR6)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 1A receptor (HTR1A)
Inhibitor
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 5A receptor (HTR5A)
Inhibitor