General Information of the Compound
Compound ID
CP0415291
Compound Name
Lanoconazole
    Show/Hide
Synonyms
Astat
Lanoconazole
NND-318
TJN-318
    Show/Hide
Structure
Formula
C14H10ClN3S2
Molecular Weight
319.842
Canonical SMILES
Clc1ccccc1C1CS\C(S1)=C(\C#N)n1ccnc1
    Show/Hide
InChI
InChI=1S/C14H10ClN3S2/c15-11-4-2-1-3-10(11)13-8-19-14(20-13)12(7-16)18-6-5-17-9-18/h1-6,9,13H,8H2/b14-12+
    Show/Hide
InChIKey
ZRTQSJFIDWNVJW-WYMLVPIESA-N
CAS
126509-69-1
101530-10-3
153222-93-6
Physicochemical Property
logP
4.40748
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
41.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3002820
SID: 14776982
ChEMBL ID
CHEMBL1555126
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: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 9650 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lanoconazole )
Drug Name Lanoconazole
Company Nihon Nohyaku Co Ltd
Indication
Dermatological disease
Approved