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Compound Detail

CHEMBL4169927

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Cc1cc2ncn(CC3CCN(CC(=O)NCc4ccc(F)cc4)CC3)c2cc1C

Basic Information

ChEMBL ID CHEMBL4169927
Phase Preclinical
Structure Type MOL
InChI Key CEZUQYIXEGSGMW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
3.82
ALogP
4
HBA
1
HBD
50.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29FN4O
MW 408.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.93

Activity Summary

EC50 2 meas. best 7.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 7.5 7.49 31.6 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29886326 10.1016/j.ejmech.2018.05.053 Unchecked 6

Data from ChEMBL 36 via Core Engine