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Compound Detail

CHEMBL5417170

MHV-370
🧪 Phase II
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🧪 Phase II
Cc1cc(N2CCc3c(c(C)nn3CC34CCC(NC(=O)[C@@H]5COCCN5)(CC3)CC4)C2)c2cnn(C)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417170
Name MHV-370
Phase Phase II
Structure Type MOL
InChI Key OXDQXRVWDYGAHX-SAVAPUMLSA-N

Known Names

Mhv-370 Mhv370
4
Targets
8
Activities
1
Assay Types
15
PK Parameters
8
Publications
2
Known Names

Molecular Properties

532.7
MW (Da)
2.54
ALogP
9
HBA
2
HBD
102.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C29H40N8O2
MW 532.69
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -1.20

Activity Summary

IC50 8 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Toll-like receptor 7
CHEMBL5936
 IC50 8.4 8.275 4.0 2
Toll-like receptor 7
CHEMBL6085
 IC50 8.05 7.67 9.0 2
Toll-like receptor 8
CHEMBL5805
 IC50 7.17 7.15 68.0 2
Toll-like receptor 9
CHEMBL5804
 IC50 6.0 5.96 1000.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 3021.42 ng.hr.mL-1 Mus musculus
AUC 4879.44 ng.hr.mL-1 Mus musculus
AUC 946.06 ng.hr.mL-1 Rattus norvegicus
AUC 1500.59 ng.hr.mL-1 Rattus norvegicus
CL 11.0 mL.min-1.kg-1 Mus musculus
CL 18.0 mL.min-1.kg-1 Rattus norvegicus
CL 19.0 mL.min-1.g-1 Homo sapiens
CL 52.0 mL.min-1.g-1 Mus musculus
CL 17.0 mL.min-1.g-1 Rattus norvegicus
Cmax 1858.0 nM Mus musculus
Cmax 282.0 nM Rattus norvegicus
F 32.0 % Mus musculus
F 52.0 % Rattus norvegicus
MRT 1.0 hr Mus musculus
MRT 1.2 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Toll-like receptor 7 IC50 = 4.0 nM 8.4 Antagonist activity at TLR7 in human PBMC cells assessed as reduction in IFN alp... 37583811
Toll-like receptor 7 IC50 = 7.0 nM 8.15 Antagonist activity at TLR7 in human Whole blood cell assessed as reduction in I... 37583811
Toll-like receptor 7 IC50 = 9.0 nM 8.05 Antagonist activity at TLR7 in mouse Splenocyte assessed as reduction in IFN-alp... 37583811
Toll-like receptor 7 IC50 = 51.0 nM 7.29 Antagonist activity at TLR7 in mouse Whole blood cell assessed as reduction in I... 37583811
Toll-like receptor 8 IC50 = 68.0 nM 7.17 Antagonist activity at TLR8 in human PBMC cells expressed in Drosophila S2 expre... 37583811
Toll-like receptor 8 IC50 = 74.0 nM 7.13 Antagonist activity at TLR8 in human Whole blood cell expressed in Drosophila S2... 37583811
Toll-like receptor 9 IC50 = 1000.0 nM 6.0 Antagonist activity at TLR9 in human PBMC cells assessed as reduction in IFN alp... 37583811
Toll-like receptor 9 IC50 = 1200.0 nM 5.92 Antagonist activity at TLR9 in human Whole blood cell assessed as reduction in I... 37583811

Literature References

PubMed DOI Target Context # Activities
37583811 10.1021/acsmedchemlett.3c00136 ADMET 18
37583811 10.1021/acsmedchemlett.3c00136 Unchecked 10
37583811 10.1021/acsmedchemlett.3c00136 Toll-like receptor 7 4
37583811 10.1021/acsmedchemlett.3c00136 Toll-like receptor 9 4
37583811 10.1021/acsmedchemlett.3c00136 Toll-like receptor 4 4
37583811 10.1021/acsmedchemlett.3c00136 Toll-like receptor 8 2
37583811 10.1021/acsmedchemlett.3c00136 Cytochrome P450 3A4 2
37583811 10.1021/acsmedchemlett.3c00136 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine