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Compound Detail

CHEMBL2262498

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CC(=O)c1nccn1-c1oc2cccc(OCCNCc3cccnc3)c2c1C

Basic Information

ChEMBL ID CHEMBL2262498
Phase Preclinical
Structure Type MOL
InChI Key POBXCADMAVDRRC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
3.69
ALogP
7
HBA
1
HBD
82.2
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O3
MW 390.44
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.02

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycylpeptide N-tetradecanoyltransferase IC50 = 1.0 nM 9.0 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