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Compound Information
SONAR Target prediction
Name:
1-Amino-1-cyclohexanecarboxylic acid hydrochloride
Unique Identifier:
LOPAC 00333
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C7ClH14NO2
Molecular Weight:
165.533 g/mol
X log p:
-2.117
(online calculus)
Lipinksi Failures
0
TPSA
17.07
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
3
Rotatable Bond Count:
1
Canonical Smiles:
Cl.NC1(CCCCC1)C(O)=O
Class:
Neurotransmission
Action:
Substrate
Generic_name:
BETA-CYCLOHEXYL-ALANINE
Chemical_iupac_name:
BETA-CYCLOHEXYL-ALANINE
Drug_type:
Experimental
Drugbank_id:
EXPT01686
Drug_category:
Zinc Finger Y-Chromosomal Protein inhibitor
Organisms_affected:
-1
Found: 24 nonactive as graph:
single
|
with analogs
[1]
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[24]
Species:
4932
Condition:
CLN3
Replicates:
2
Raw OD Value:
r
im
0.6905±0.0229103
Normalized OD Score:
sc
h
0.9926±0.00210521
Z-Score:
-0.2519±0.0311069
p-Value:
0.801182
Z-Factor:
-8.9641
Fitness Defect:
0.2217
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Lopac
Plate Number and Position:
2|D8
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.80 Celcius
Date:
2005-05-08 YYYY-MM-DD
Plate CH Control (+):
0.04875±0.00419
Plate DMSO Control (-):
0.702625±0.04286
Plate Z-Factor:
0.8237
png
ps
pdf
DBLink | Rows returned: 158
[1]
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[27]
192212
2,7-diaminooctanedioic acid
193546
(2R)-2-aminooctanedioic acid
219221
2,9-diaminodecanedioic acid
224366
2-amino-2-cyclopentyl-acetic acid
224391
2-amino-2-cyclohexyl-acetic acid
224400
2-amino-4-cyclohexyl-butanoic acid
internal high similarity DBLink | Rows returned: 5
SPE01502026
0.9286
SPE01502128
0.9286
JFD 01160
1.0000
RJC 00670
1.0000
SB 02002
1.0000
active
| Cluster 4858 | Additional Members: 8 | Rows returned: 1
SPE01502131
0.2
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