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Compound Detail

CHEMBL285558

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NCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O

Basic Information

ChEMBL ID CHEMBL285558
Phase Preclinical
Structure Type MOL
InChI Key YAEIGLZGJIBUFS-ROUUACIJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

472.6
MW (Da)
-0.85
ALogP
7
HBA
7
HBD
202.7
PSA (Ų)
0.11
QED
1
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H44N6O5
MW 472.63
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 0.11

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycylpeptide N-tetradecanoyltransferase
CHEMBL3548
IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9154965 10.1021/jm9608671 Glycylpeptide N-tetradecanoyltransferase 1

Data from ChEMBL 36 via Core Engine