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Compound Detail

CHEMBL274440

AP-7
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NC(CCCCCP(=O)(O)O)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274440
Name AP-7
Phase Preclinical
Structure Type MOL
InChI Key MYDMWESTDPJANS-UHFFFAOYSA-N
3
Targets
18
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
0.14
ALogP
3
HBA
4
HBD
120.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H16NO5P
MW 225.18
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.11

Activity Summary

IC50 16 meas. best 6.5
Ki 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.5 6.5 320.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.41 6.0133 388.0 9
Unchecked
CHEMBL612545
 Ki 6.14 6.14 730.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.04 6.04 912.0 1
Rattus norvegicus
CHEMBL376
 IC50 4.85 4.61 14100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 320.0 nM 6.5 Compound was evaluated for the inhibition of the binding of [3H]CPP against NMDA... 2539478
Glutamate NMDA receptor IC50 = 388.0 nM 6.41 Competitive inhibition (at 100 uM) of NMDA receptor site was assessed by its abi... 11334562
Glutamate NMDA receptor IC50 = 390.0 nM 6.41 Inhibition of [3H]CPP binding to rat N-methyl-D-aspartate glutamate receptor 1361582
Glutamate NMDA receptor IC50 = 388.0 nM 6.41 Tested for binding affinity against NMDA receptor, from rat synaptic membrane, u... 8093907
Unchecked Ki = 730.0 nM 6.14 In vitro binding affinity towards N-methyl-D-aspartate glutamate receptor of the... 1977908
Glutamate NMDA receptor IC50 = 760.0 nM 6.12 Inhibition of N-methyl-D-aspartate glutamate receptor by using [3H]CPP as a radi... 2145436
Glutamate NMDA receptor IC50 = 770.0 nM 6.11 Tested for the inhibitory activity against NMDA receptor site as measured in a [... -
Glutamate NMDA receptor IC50 = 770.0 nM 6.11 Inhibitory activity evaluated by its ability to displace [3H]CPP from N-methyl-D... 1533423
Glutamate NMDA receptor IC50 = 770.0 nM 6.11 Displacement of [3H]CPP from N-methyl-D-aspartate glutamate receptor in rat brai... 1533422
Glutamate NMDA receptor IC50 = 800.0 nM 6.1 NMDA receptor antagonistic activity was assessed from the ability to displace [3... 2544728
Glutamate NMDA receptor Ki = 912.0 nM 6.04 Compound was evaluated for its ability to displace [3H]-CGS- 19755 ligand from N... 1533680
Rattus norvegicus IC50 = 14100.0 nM 4.85 Percent inhibition of glutamate activity against cGMP was determined 1977908
Rattus norvegicus IC50 = 30000.0 nM 4.52 In vitro antagonist activity by its ability to inhibit glutamate-induced accumul... 1533423
Rattus norvegicus IC50 = 35000.0 nM 4.46 Tested for inhibition of NMDA-induced cyclic GMP increase in rat cerebellar slic... 2155321
Glutamate NMDA receptor IC50 = 46000.0 nM 4.34 NMDA receptor antagonistic activity was assessed in vitro by deteriming the abil... 2544728

Literature References

PubMed DOI Target Context # Activities
2155321 10.1021/jm00165a030 No relevant target 3
8093907 10.1021/jm00055a004 Glutamate NMDA receptor 3
11334562 10.1021/jm000385w Glutamate NMDA receptor 2
1533680 10.1021/jm00087a002 Glutamate NMDA receptor 2
2145436 10.1021/jm00172a037 Glutamate NMDA receptor 2
2544728 10.1021/jm00127a030 Mus musculus 2
2544728 10.1021/jm00127a030 Glutamate NMDA receptor 2
17417631 10.1038/nchembio873 Unchecked 1
1533422 10.1021/jm00086a004 Glutamate NMDA receptor 1
2155321 10.1021/jm00165a030 Rattus norvegicus 1
1977908 10.1021/jm00173a009 Glutamate receptor 1 1
1977908 10.1021/jm00173a009 Glutamate receptor ionotropic, kainate 3 1
1977908 10.1021/jm00173a009 Rattus norvegicus 1
1977908 10.1021/jm00173a009 Unchecked 1
1361582 10.1021/jm00103a010 Mus musculus 1
1361582 10.1021/jm00103a010 Glutamate NMDA receptor 1
12182877 10.1016/s0960-894x(02)00510-3 Unchecked 1
1533423 10.1021/jm00086a005 Rattus norvegicus 1
1533423 10.1021/jm00086a005 Glutamate NMDA receptor 1
- 10.1016/S0960-894X(00)80088-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine