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Compound Detail

CHEMBL14339

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Fc1ccc(-c2ncn(C3CCNCC3)c2-c2ccnc(Oc3cc(F)cc(F)c3)n2)cc1

Basic Information

ChEMBL ID CHEMBL14339
Phase Preclinical
Structure Type MOL
InChI Key IXQGHOZDNBWZOU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

451.4
MW (Da)
5.14
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F3N5O
MW 451.45
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.02

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.68 6.68 209.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30253095 10.1021/acs.jmedchem.8b01248 Bromodomain testis-specific protein 2
30253095 10.1021/acs.jmedchem.8b01248 Bromodomain-containing protein 4 2
11354358 10.1016/s0960-894x(01)00163-9 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine