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Compound Detail

CHEMBL39664

SELFOTEL
🧪 Phase II
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🧪 Phase II
O=C(O)[C@@H]1C[C@H](CP(=O)(O)O)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39664
Name SELFOTEL
Phase Phase II
Structure Type MOL
InChI Key LPMRCCNDNGONCD-RITPCOANSA-N

Known Names

CGS 19755 CGS-19755 CPDD-0027 GNF-PF-157 Selfotel
7
Targets
34
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

223.2
MW (Da)
-0.38
ALogP
3
HBA
4
HBD
106.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Year 1993

Extended Properties

Molecular Formula C7H14NO5P
MW 223.16
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.93

Activity Summary

IC50 28 meas. best 7.66
Ki 5 meas. best 7.54
EC50 1 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate NMDA receptor
CHEMBL1907608
 IC50 7.66 6.825 22.0 16
Glutamate NMDA receptor
CHEMBL1907608
 Ki 7.54 7.1575 29.0 4
Unchecked
CHEMBL612545
 IC50 7.54 6.4867 29.0 6
Glutamate [NMDA] receptor
CHEMBL2094124
 IC50 7.27 6.535 54.0 2
Glutamate receptor ionotropic, NMDA 2A
CHEMBL310
 IC50 7.02 6.55 95.0 2
Unchecked
CHEMBL612545
 Ki 7.0 7.0 99.0 1
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 6.01 6.01 967.0 1
Rattus norvegicus
CHEMBL376
 IC50 5.96 5.96 1100.0 1
Plasmodium falciparum
CHEMBL364
 EC50 5.88 5.88 1317.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate NMDA receptor IC50 = 22.0 nM 7.66 Tested in vitro for antagonistic activity at N-methyl-D-aspartate glutamate rece... 9457246
Glutamate NMDA receptor IC50 = 24.0 nM 7.62 Compound was evaluated for its ability to displace [3H]CCP binding for NMDA rece... -
Glutamate NMDA receptor IC50 = 28.0 nM 7.55 Displacement of [3H]CPP from rat synaptic membrane glutamate NMDA receptor 11334562
Glutamate NMDA receptor IC50 = 28.0 nM 7.55 Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... 8093907
Glutamate NMDA receptor IC50 = 28.0 nM 7.55 Displacement of [3H]CPP from rat brain synaptic membrane N-methyl-D-aspartate gl... 9457246
Glutamate NMDA receptor Ki = 29.0 nM 7.54 Binding affinity to the glutamate site of the NMDA receptor was measured by comp... -
Unchecked IC50 = 29.0 nM 7.54 Compound was tested for binding activity against N-methyl-D-aspartic acid(NMDA) ... -
Glutamate NMDA receptor IC50 = 32.0 nM 7.5 Inhibition of [3H]-CGS- 19755 binding to N-methyl-D-aspartic acid receptors in r... 2549246
Glutamate NMDA receptor Ki = 40.0 nM 7.4 The compound was tested for NMDA antagonist activity against [3H]-CGS- 19755 bin... -
Glutamate NMDA receptor IC50 = 54.0 nM 7.27 In vitro compound's ability to displace [3H]-CGS-19,755 binding as a measure of ... 1404235
Glutamate NMDA receptor IC50 = 54.0 nM 7.27 In vitro binding affinity against N-methyl-D-aspartate glutamate receptor using ... 1825117
Glutamate [NMDA] receptor IC50 = 54.0 nM 7.27 Tested in vitro for the affinity against NMDA receptor by examining its ability ... -
Glutamate NMDA receptor IC50 = 54.0 nM 7.27 Ability to displace [3H]CPP from NMDA receptor in rat brain membrane 1533422
Glutamate NMDA receptor IC50 = 65.0 nM 7.19 Inhibition of N-methyl-D-aspartate glutamate receptor by using [3H]CPP as a radi... 2145436
Unchecked IC50 = 69.0 nM 7.16 Compound was tested for binding activity against N-methyl-D-aspartic acid(NMDA) ... -
Glutamate NMDA receptor IC50 = 87.0 nM 7.06 Tested for the ability to inhibit the specific binding of [3H]-CGS- 19755 to NMD... -
Unchecked IC50 = 95.0 nM 7.02 Compound was evaluated for the inhibition of the binding of [3H]-CPP against NMD... 2539478
Glutamate receptor ionotropic, NMDA 2A IC50 = 95.0 nM 7.02 Inhibition of [3H]CPP binding to rat N-methyl-D-aspartic acid receptor 2A 16107147
Unchecked Ki = 99.0 nM 7.0 In vitro binding affinity towards N-methyl-D-aspartate glutamate receptor of the... 1977908
Glutamate NMDA receptor Ki = 130.0 nM 6.89 Compound was evaluated for its ability to displace [3H]CPP or [3H]-CGS- 19755 li... 1533680

Literature References

PubMed DOI Target Context # Activities
8093907 10.1021/jm00055a004 Glutamate NMDA receptor 4
- 10.1016/S0960-894X(00)80086-4 Unchecked 3
- 10.1016/0960-894X(96)00150-3 Unchecked 3
9457246 10.1021/jm970504g Glutamate NMDA receptor 2
18579783 10.1073/pnas.0802982105 Plasmodium falciparum 2
- 10.1016/S0960-894X(00)80087-6 Mus musculus 2
1671413 10.1021/jm00105a024 Glutamate NMDA receptor 2
2549246 10.1021/jm00129a025 Mus musculus 2
1825117 10.1021/jm00105a016 Glutamate NMDA receptor 2
- 10.1016/S0960-894X(00)80089-X Glutamate [NMDA] receptor 2
11334562 10.1021/jm000385w Glutamate NMDA receptor 2
1533680 10.1021/jm00087a002 Glutamate NMDA receptor 2
2145436 10.1021/jm00172a037 Glutamate NMDA receptor 2
16107147 10.1021/jm050174x Glutamate receptor ionotropic, NMDA 2A 2
1825117 10.1021/jm00105a016 Mus musculus 1
20875743 10.1016/j.bmc.2010.07.034 Glutamate NMDA receptor 1
1404235 10.1021/jm00097a012 Mus musculus 1
1404235 10.1021/jm00097a012 Unchecked 1
1404235 10.1021/jm00097a012 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80087-6 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine