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Compound Detail

CHEMBL478656

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Cc1ccc(NC(=O)c2ccnc(NC3CC3)c2)cc1-c1ccc(C(=O)NCC2CC2)cc1

Basic Information

ChEMBL ID CHEMBL478656
Phase Preclinical
Structure Type MOL
InChI Key RRNUATGYKVGOAR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
5.02
ALogP
4
HBA
3
HBD
83.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O2
MW 440.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
Ki 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18602262 10.1016/j.bmcl.2008.06.028 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine