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Compound Detail

CHEMBL2262507

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Cc1c(COc2ccc(F)cc2)oc2cccc(OCCNCc3cccnc3)c12

Basic Information

ChEMBL ID CHEMBL2262507
Phase Preclinical
Structure Type MOL
InChI Key OCLYYUXFNPJLSE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

406.5
MW (Da)
5.02
ALogP
5
HBA
1
HBD
56.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23FN2O3
MW 406.46
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.93

Activity Summary

IC50 2 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
IC50 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 5.2 nM 8.28 Inhibition of candida N-myristoyltransferase -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-008-9120-5 Glycylpeptide N-tetradecanoyltransferase 2

Data from ChEMBL 36 via Core Engine