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Compound Detail

CHEMBL285123

(D)-SERINE
🧪 Phase III
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🧪 Phase III
N[C@H](CO)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL285123
Name (D)-SERINE
Phase Phase III
Structure Type MOL
InChI Key MTCFGRXMJLQNBG-UWTATZPHSA-N

Known Names

(d)-serine D-serine
8
Targets
19
Activities
3
Assay Types
14
PK Parameters
20
Publications
2
Known Names
3
Indications

Molecular Properties

105.1
MW (Da)
-1.61
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem deu-
USAN Year 2020

Extended Properties

Molecular Formula C3H7NO3
MW 105.09
Aromatic Rings 0
Heavy Atoms 7
NP-Likeness 1.41

Indications

Psychotic Disorders Schizophrenia Cocaine-Related Disorders

Activity Summary

EC50 10 meas. best 6.82
IC50 7 meas. best 6.52
Ki 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ionotropic glutamate receptor NMDA 1/2D
CHEMBL3038506
 EC50 6.82 6.82 150.0 1
Glutamate NMDA receptor
CHEMBL1907608
 EC50 6.8 6.75 160.0 2
Unchecked
CHEMBL612545
 EC50 6.77 6.6325 170.0 4
Glutamate NMDA receptor; Grin1/Grin2c
CHEMBL2096911
 EC50 6.72 6.72 190.0 1
Glutamate NMDA receptor
CHEMBL1907608
 IC50 6.52 6.52 300.0 1
Glutamate NMDA receptor
CHEMBL1907608
 Ki 6.5 6.5 316.2 1
Glutamate NMDA receptor; Grin1/Grin2b
CHEMBL2096666
 EC50 6.21 6.21 620.0 1
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
 IC50 6.17 6.17 670.0 1
Glutamate NMDA receptor; Grin1/Grin2a
CHEMBL2096680
 EC50 6.0 6.0 1000.0 1
Asc-type amino acid transporter 1
CHEMBL4105976
 IC50 5.03 5.03 9400.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 80899.0 ng.hr.mL-1 Mus musculus
AUC 46023.0 ng.hr.mL-1 Mus musculus
AUC 95768.0 ng.hr.mL-1 Mus musculus
AUC 65778.0 ng.hr.mL-1 Mus musculus
AUC 40648.0 ng.hr.mL-1 Mus musculus
Cmax 264440.0 nM Mus musculus
Cmax 231040.06 nM Mus musculus
Cmax 186601.96 nM Mus musculus
T1/2 10.0 hr Mus musculus
T1/2 1.5 hr Mus musculus
T1/2 1.2 hr Mus musculus
Tmax 2.7 hr Mus musculus
Tmax 1.0 hr Mus musculus
Tmax 0.7 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ionotropic glutamate receptor NMDA 1/2D EC50 = 150.0 nM 6.82 Agonist activity at rat GluN1/GluN2D NMDA receptor expressed in Xenopus oocytes ... 34918931
Glutamate NMDA receptor EC50 = 160.0 nM 6.8 In vitro concentration eliciting half-maximal effect on [3H]-MK 801 radioligand ... 10360746
Unchecked EC50 = 170.0 nM 6.77 Effective concentration against NR1/NR2D receptor 10893301
Glutamate NMDA receptor; Grin1/Grin2c EC50 = 190.0 nM 6.72 Agonist activity at rat GluN1/GluN2C NMDA receptor expressed in Xenopus oocytes ... 34918931
Glutamate NMDA receptor EC50 = 200.0 nM 6.7 Compound was evaluated for in vitro inhibition of [3H]TCP at NMDA receptor 7990104
Unchecked EC50 = 210.0 nM 6.68 Effective concentration against NR1/NR2C receptor 10893301
Unchecked EC50 = 260.0 nM 6.58 Effective concentration against NR1/NR2B receptor 10893301
Glutamate NMDA receptor IC50 = 300.0 nM 6.52 In vitro inhibition of [3H]glycine at NMDA receptor 7990104
Unchecked EC50 = 320.0 nM 6.5 Effective concentration against NR1/NR2A receptor 10893301
Glutamate NMDA receptor Ki = 316.23 nM 6.5 Displacement of [3H]glycine from strychnine-insensitive glycine recognition site... 19642674
Glutamate NMDA receptor; Grin1/Grin2b EC50 = 620.0 nM 6.21 Agonist activity at rat GluN1/GluN2B NMDA receptor expressed in Xenopus oocytes ... 34918931
Glutamate receptor ionotropic, NMDA 1 IC50 = 670.0 nM 6.17 In vitro inhibitory activity to inhibit [3H]glycine binding to NMDA receptor 10360746
Glutamate NMDA receptor; Grin1/Grin2a EC50 = 1000.0 nM 6.0 Agonist activity at rat GluN1/GluN2A NMDA receptor expressed in Xenopus oocytes ... 34918931
Asc-type amino acid transporter 1 IC50 = 9400.0 nM 5.03 Inhibition of asc-1 mediated [3H]-D-serine uptake in P2 fraction of rat forebrai... -

Literature References

PubMed DOI Target Context # Activities
22837388 10.1124/dmd.112.046482 Mus musculus 14
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
10893301 10.1021/jm000007r Unchecked 4
22837388 10.1124/dmd.112.046482 Cerebellum 2
34918931 10.1021/acs.jmedchem.1c01810 Glutamate NMDA receptor; Grin1/Grin2b 2
34918931 10.1021/acs.jmedchem.1c01810 Glutamate NMDA receptor; Grin1/Grin2a 2
34256119 10.1016/j.bmcl.2021.128259 Staphylococcus aureus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
34918931 10.1021/acs.jmedchem.1c01810 Glutamate NMDA receptor; Grin1/Grin2c 2
22837388 10.1124/dmd.112.046482 Cortex 2
21955456 10.1016/j.bmc.2011.08.058 Proton-coupled amino acid transporter 1 2
34918931 10.1021/acs.jmedchem.1c01810 Ionotropic glutamate receptor NMDA 1/2D 2
7990104 10.1021/jm00050a001 Glutamate NMDA receptor 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
11278508 10.1074/jbc.m009462200 Monocarboxylate transporter 10 1
19642674 10.1021/jm900363q Glutamate NMDA receptor 1
10360746 10.1016/s0960-894x(99)00194-8 Unchecked 1
10360746 10.1016/s0960-894x(99)00194-8 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine