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Compound Detail

CHEMBL4129018

MW-150
🧪 Phase II
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🧪 Phase II
CN1CCN(c2cc(-c3ccncc3)c(-c3ccc4ccccc4c3)nn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4129018
Name MW-150
Phase Phase II
Structure Type MOL
InChI Key CIIVUDIZZJLXCN-UHFFFAOYSA-N

Known Names

MW 150 Mw-150 MW150
3
Targets
5
Activities
2
Assay Types
30
PK Parameters
20
Publications
3
Known Names
1
Indications

Molecular Properties

381.5
MW (Da)
4.11
ALogP
5
HBA
0
HBD
45.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C24H23N5
MW 381.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.14

Indications

Alzheimer Disease

Activity Summary

IC50 4 meas. best 6.64
Ki 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 Ki 7.0 7.0 100.0 1
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.64 6.64 230.0 2
Mitogen-activated protein kinase 11
CHEMBL3961
 IC50 5.73 5.73 1850.0 1
Casein kinase I isoform delta
CHEMBL2828
 IC50 5.58 5.58 2610.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 739.0 ng.hr.mL-1 Rattus norvegicus
AUC 2601.0 ng.hr.mL-1 Rattus norvegicus
AUC 3841.0 ng.hr.mL-1 Rattus norvegicus
AUC 2035.0 ng.hr.mL-1 Rattus norvegicus
AUC 6632.0 ng.hr.mL-1 Rattus norvegicus
AUC 10615.0 ng.hr.mL-1 Rattus norvegicus
CL 24.33 mL.min-1.kg-1 Rattus norvegicus
CL 28.5 mL.min-1.kg-1 Rattus norvegicus
CL 11.28 mL.min-1.kg-1 Rattus norvegicus
CL 13.6 mL.min-1.kg-1 Rattus norvegicus
Cmax 581.94 nM Rattus norvegicus
Cmax 1027.58 nM Rattus norvegicus
Cmax 1701.27 nM Rattus norvegicus
Cmax 951.56 nM Rattus norvegicus
Cmax 1693.4 nM Rattus norvegicus
Cmax 3153.51 nM Rattus norvegicus
F 53.0 % Rattus norvegicus
F 55.1 % Rattus norvegicus
F 67.8 % Rattus norvegicus
F 70.7 % Rattus norvegicus
T1/2 1.0 hr Homo sapiens
T1/2 2.07 hr Rattus norvegicus
T1/2 3.13 hr Rattus norvegicus
T1/2 2.87 hr Rattus norvegicus
T1/2 2.38 hr Rattus norvegicus
T1/2 3.47 hr Rattus norvegicus
T1/2 3.73 hr Rattus norvegicus
T1/2 4.71 hr Rattus norvegicus
T1/2 5.07 hr Rattus norvegicus
T1/2 3.73 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Ki = 100.0 nM 7.0 Inhibition of human p38alpha 30978288
Mitogen-activated protein kinase 14 IC50 = 230.0 nM 6.64 Inhibition of human p38alpha 30978288
Mitogen-activated protein kinase 14 IC50 = 230.0 nM 6.64 Antagonist activity at p38 MAPK alpha (unknown origin) 33974419
Mitogen-activated protein kinase 11 IC50 = 1850.0 nM 5.73 Inhibition of human p38beta 30978288
Casein kinase I isoform delta IC50 = 2610.0 nM 5.58 Inhibition of human CK1delta 30978288

Literature References

PubMed DOI Target Context # Activities
30978288 10.1021/acs.jmedchem.9b00058 ADMET 46
30978288 10.1021/acs.jmedchem.9b00058 Mus musculus 7
30978288 10.1021/acs.jmedchem.9b00058 Hepatocyte 6
30978288 10.1021/acs.jmedchem.9b00058 Unchecked 5
33974419 10.1021/acs.jmedchem.0c01773 ADMET 3
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 3A4 3
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 2C19 2
30978288 10.1021/acs.jmedchem.9b00058 Alpha-2A adrenergic receptor 2
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 2D6 2
29752185 10.1016/j.bmcl.2018.05.007 ADMET 2
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 2C9 2
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 2C8 2
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 2B6 2
30978288 10.1021/acs.jmedchem.9b00058 Cytochrome P450 1A2 2
30978288 10.1021/acs.jmedchem.9b00058 Mitogen-activated protein kinase 14 2
30978288 10.1021/acs.jmedchem.9b00058 Casein kinase I isoform delta 1
30978288 10.1021/acs.jmedchem.9b00058 ATP-dependent translocase ABCB1 1
33974419 10.1021/acs.jmedchem.0c01773 Mitogen-activated protein kinase 14 1
30978288 10.1021/acs.jmedchem.9b00058 Amine oxidase [flavin-containing] A 1
30978288 10.1021/acs.jmedchem.9b00058 Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine