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Compound Detail

CHEMBL3421729

MEVIDALEN
🧪 Phase II
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🧪 Phase II
C[C@H]1c2cccc(CCC(C)(C)O)c2C[C@H](CO)N1C(=O)Cc1c(Cl)cccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3421729
Name MEVIDALEN
Phase Phase II
Structure Type MOL
InChI Key XHCSBQBBGNQINS-DOTOQJQBSA-N

Known Names

LY-3154207 Ly3154207 Mevidalen
5
Targets
9
Activities
2
Assay Types
20
PK Parameters
19
Publications
3
Known Names
3
Indications
1
Mechanisms

Molecular Properties

450.4
MW (Da)
4.75
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -dalen
USAN Year 2020

Extended Properties

Molecular Formula C24H29Cl2NO3
MW 450.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.19

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Dopamine D1 receptor positive allosteric modulator POSITIVE ALLOSTERIC MODULATOR D(1A) dopamine receptor ✓ ✓

Indications

Lewy Body Disease Alzheimer Disease Parkinson Disease

Activity Summary

EC50 8 meas. best 8.96
IC50 1 meas. best 5.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
D(1A) dopamine receptor
CHEMBL2056
 EC50 8.96 8.5025 1.1 4
Unchecked
CHEMBL612545
 EC50 8.7 8.65 2.0 2
D(1A) dopamine receptor
CHEMBL3071
 EC50 7.21 7.21 62.1 1
5-hydroxytryptamine receptor 1A
CHEMBL214
 IC50 5.42 5.42 3800.0 1
Cytochrome P450 3A4
CHEMBL340
 EC50 5.26 5.26 5500.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2598.87 ng.hr.mL-1 Mus musculus
AUC 8332.59 ng.hr.mL-1 Mus musculus
CL 1150.0 mL.min-1.kg-1 Mus musculus
CL 96.0 mL.min-1.kg-1 Homo sapiens
CL 6.4 mL.min-1.kg-1 Mus musculus
CL 16.0 mL.min-1.kg-1 Rattus norvegicus
Cmax 6670.0 nM Mus musculus
F 32.0 % Mus musculus
F 73.0 % Rattus norvegicus
Fu 0.024 - Mus musculus
Fu 0.025 - Mus musculus
Fu 0.512 - Mus musculus
Fu 0.0113 - Rattus norvegicus
Fu 0.0547 - Rattus norvegicus
Fu 0.012 - Rattus norvegicus
Fu 0.016 - Rattus norvegicus
Fu 0.0158 - Rattus norvegicus
Fu 0.0161 - Rattus norvegicus
T1/2 3.2 hr Mus musculus
Tmax 0.25 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
D(1A) dopamine receptor EC50 = 1.11 nM 8.96 Positive allosteric modulation of human D1R expressed in HEK293 cells assessed a... 30525590
Unchecked EC50 = 2.0 nM 8.7 Positive allosteric modulator activity at dog D1 receptor transiently expressed ... 31532644
D(1A) dopamine receptor EC50 = 2.3 nM 8.64 Positive allosteric modulator activity at human D1 receptor transiently expresse... 31532644
Unchecked EC50 = 2.5 nM 8.6 Positive allosteric modulator activity at rhesus monkey D1 receptor transiently ... 31532644
D(1A) dopamine receptor EC50 = 3.0 nM 8.52 Positive allosteric modulator activity at human D1 receptor stably expressed in ... 31532644
D(1A) dopamine receptor EC50 = 12.8 nM 7.89 Agonist activity at human D1 receptor stably expressed in HEK293 cells assessed ... 31532644
D(1A) dopamine receptor EC50 = 62.1 nM 7.21 Positive allosteric modulator activity at mouse D1 receptor transiently expresse... 31532644
5-hydroxytryptamine receptor 1A IC50 = 3800.0 nM 5.42 Binding affinity to 5-HT1A receptor (unknown origin) by radioligand displacement... 31532644
Cytochrome P450 3A4 EC50 = 5500.0 nM 5.26 Induction of CYP3A4 in human hepatocytes 35175768

Literature References

PubMed DOI Target Context # Activities
31732255 10.1016/j.ejmech.2019.111813 ADMET 18
31532644 10.1021/acs.jmedchem.9b01234 ADMET 17
31532644 10.1021/acs.jmedchem.9b01234 D(1A) dopamine receptor 9
31532644 10.1021/acs.jmedchem.9b01234 Mus musculus 8
31532644 10.1021/acs.jmedchem.9b01234 Unchecked 6
31532644 10.1021/acs.jmedchem.9b01234 No relevant target 5
30525590 10.1021/acs.jmedchem.8b01767 ADMET 3
31532644 10.1021/acs.jmedchem.9b01234 D(1B) dopamine receptor 2
25699154 10.1021/ml5005365 Mus musculus 2
35175768 10.1021/acs.jmedchem.1c01887 Cytochrome P450 3A4 2
30525590 10.1021/acs.jmedchem.8b01767 D(1A) dopamine receptor 2
35175768 10.1021/acs.jmedchem.1c01887 No relevant target 1
35175768 10.1021/acs.jmedchem.1c01887 ADMET 1
35175768 10.1021/acs.jmedchem.1c01887 Cytochrome P450 1
31532644 10.1021/acs.jmedchem.9b01234 5-hydroxytryptamine receptor 1A 1
31532644 10.1021/acs.jmedchem.9b01234 5-hydroxytryptamine receptor 6 1
31532644 10.1021/acs.jmedchem.9b01234 Beta-2 adrenergic receptor 1
31532644 10.1021/acs.jmedchem.9b01234 Beta-1 adrenergic receptor 1
31532644 10.1021/acs.jmedchem.9b01234 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine