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Compound Detail

CHEMBL14187

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Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3ccc(-c4ccccc4)cc3)n2)cc1

Basic Information

ChEMBL ID CHEMBL14187
Phase Preclinical
Structure Type MOL
InChI Key WHARNYOKNQYQGR-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
6.53
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H26FN5O
MW 491.57
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.90

Activity Summary

IC50 3 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.22 7.22 60.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17706839 10.1016/j.ejmech.2007.06.009 Mitogen-activated protein kinase 14 2
11354358 10.1016/s0960-894x(01)00163-9 Mitogen-activated protein kinase 14 1
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine