Compound Detail
CHEMBL5095095
DALZANEMDOR 🧪 Phase III
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🧪 Phase III
C[C@H](CC[C@](C)(O)C(F)(F)F)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL5095095 |
| Name | DALZANEMDOR |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | BVBRUQYHUXKZMQ-JNVAYQLDSA-N |
4
Targets
4
Activities
1
Assay Types
18
PK Parameters
20
Publications
3
Known Names
3
Indications
Molecular Properties
456.6
MW (Da)
7.05
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Huntington Disease Cognitive Dysfunction Neurodegenerative Diseases
Activity Summary
EC50 4 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B CHEMBL1907603 | EC50 | 7.1 | 7.1 | 79.0 | 1 |
| Glutamate NMDA receptor; GRIN1/GRIN2A CHEMBL1907604 | EC50 | 7.07 | 7.07 | 86.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2C CHEMBL3038504 | EC50 | 6.82 | 6.82 | 150.0 | 1 |
| Ionotropic glutamate receptor NMDA 1/2D CHEMBL3038505 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 1.0 | mL.min-1.g-1 | Mus musculus |
| CL | 6.667 | mL.min-1.kg-1 | Homo sapiens |
| CL | 18.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 16.67 | mL.min-1.kg-1 | Mus musculus |
| CL | 6.667 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 15.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 18.33 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 6.667 | mL.min-1.kg-1 | Homo sapiens |
| CL | 4.7 | mL.min-1.g-1 | Canis lupus familiaris |
| CL | 10.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
| CL | 10.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 3.333 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | - | % | Mus musculus |
| F | 28.0 | % | Rattus norvegicus |
| F | 30.0 | % | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor; GRIN1/GRIN2B | EC50 | = | 79.0 | nM | 7.1 | Positive allosteric modulation of recombinant human GluN1/GluN2B receptor stably... | 35785990 |
| Glutamate NMDA receptor; GRIN1/GRIN2A | EC50 | = | 86.0 | nM | 7.07 | Positive allosteric modulation of recombinant human GluN1/GluN2A receptor stably... | 35785990 |
| Ionotropic glutamate receptor NMDA 1/2C | EC50 | = | 150.0 | nM | 6.82 | Positive allosteric modulation of recombinant human GluN1/GluN2C receptor stably... | 35785990 |
| Ionotropic glutamate receptor NMDA 1/2D | EC50 | = | 430.0 | nM | 6.37 | Positive allosteric modulation of recombinant human GluN1/GluN2D receptor stably... | 35785990 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35785990 | 10.1021/acs.jmedchem.2c00313 | ADMET | 34 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Mus musculus | 8 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Glutamate NMDA receptor; GRIN1/GRIN2A | 2 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Ionotropic glutamate receptor NMDA 1/2D | 2 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Ionotropic glutamate receptor NMDA 1/2C | 2 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | No relevant target | 2 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Glutamate NMDA receptor; GRIN1/GRIN2B | 2 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 2B6 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 2C8 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 2C9 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 2C19 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 2D6 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Cytochrome P450 3A4 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Sodium channel protein type 5 subunit alpha | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Unchecked | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Potassium voltage-gated channel subfamily A member 5 | 1 |
| 35785990 | 10.1021/acs.jmedchem.2c00313 | Kinesin-like protein KIF21A | 1 |
Data from ChEMBL 36 via Core Engine