General Information of the Compound
Compound ID
CP0453111
Compound Name
4-(Isopropylamino)-1-naphthol
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Synonyms
4-(Isopropylamino)-1-naphthol
CHEMBL578212
SCHEMBL12599062
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Structure
Formula
C13H15NO
Molecular Weight
201.269
Canonical SMILES
CC(C)Nc1ccc(O)c2ccccc12
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InChI
InChI=1S/C13H15NO/c1-9(2)14-12-7-8-13(15)11-6-4-3-5-10(11)12/h3-9,14-15H,1-2H3
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InChIKey
TWBKFLLEYLZFHH-UHFFFAOYSA-N
Physicochemical Property
logP
3.3657
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
32.26
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 44465702
SID: 85745155
ChEMBL ID
CHEMBL578212
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: PT01557, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 12500 nM
   TI
   LI
   LO
   TS
Protein ID: PT03388, Indoleamine 2,3-dioxygenase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B Mus musculus (Mouse)  1
1
IC50 = 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05447, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000784 P815B Mus musculus (Mouse)  1
1
IC50 > 15000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-(Isopropylamino)-1-naphthol )
Drug Name 4-(Isopropylamino)-1-naphthol
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
Inhibitor