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Compound Detail

CHEMBL6014943

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Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(Nc4ccccc4F)n3)c3ccccc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6014943
Phase Preclinical
Structure Type MOL
InChI Key YSCGLTBNMHIWFZ-UHFFFAOYSA-N
3
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

601.7
MW (Da)
8.74
ALogP
7
HBA
3
HBD
106.0
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H32FN7O2
MW 601.69
Aromatic Rings 6
Heavy Atoms 45
NP-Likeness -1.81

Activity Summary

IC50 8 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.78 6.78 165.0 3
Unchecked
CHEMBL612545
 IC50 6.78 6.78 165.0 1
Mitogen-activated protein kinase 12
CHEMBL4674
 IC50 5.09 5.09 8198.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 165.0 nM 6.78 p38 MAPKα Enzyme Inhibition: The inhibitory activities of test compounds against... -
Mitogen-activated protein kinase 14 IC50 = 165.0 nM 6.78 p38 MAPKalpha Enzyme Inhibition: The inhibitory activities of test compounds aga... -
Mitogen-activated protein kinase 14 IC50 = 165.0 nM 6.78 Enzyme Inhibition Assay: p38 MAPKα: The enzyme inhibitory activities of compound... -
Mitogen-activated protein kinase 14 IC50 = 165.0 nM 6.78 Enzyme Inhibition: p38 MAPKα: The inhibitory activities of test compounds agains... -
Mitogen-activated protein kinase 12 IC50 = 8198.0 nM 5.09 p38 MAPKγ Enzyme Inhibition: The inhibitory activities of compounds of the inven... -
Mitogen-activated protein kinase 12 IC50 = 8198.0 nM 5.09 p38 MAPKgamma Enzyme Inhibition: The inhibitory activities of compounds of the i... -
Mitogen-activated protein kinase 12 IC50 = 8198.0 nM 5.09 Enzyme Inhibition Assay: p38 MAPKγ: The enzyme inhibitory activities of compound... -
Mitogen-activated protein kinase 12 IC50 = 8198.0 nM 5.09 Enzyme Inhibition: p38 MAPKγ: The inhibitory activities of compounds of the inve... -

Data from ChEMBL 36 via Core Engine