Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR Target prediction
Name:

Capsaicin

Unique Identifier:Prest204
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C18H27NO3
Molecular Weight:278.198 g/mol
X log p:10.788  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:10
Canonical Smiles:COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 11753.0000±0
Normalized OD Score: sc h 1.0022±0
Z-Score: 0.0625±0
p-Value: 0.950146
Z-Factor: -6.43755
Fitness Defect: 0.0511
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:11|H10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.20 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):21969.5±7626.88802
Plate DMSO Control (-):12948±7402.41727
Plate Z-Factor:-6.2689
png
ps
pdf

DBLink | Rows returned: 4
2548 N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548942 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
1548943 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide
6440227 (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-2,8-dimethyl-non-6-enamide

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 16111 | Additional Members: 9 | Rows returned: 5
LOPAC 01216 0.528571428571429
SPE01501128 0.338709677419355
LOPAC 01026 0.245614035087719
LOPAC 01291 0
SPE02300192 0

Service provided by the Mike Tyers Laboratory