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Compound Detail

CHEMBL286062

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Basic Information

ChEMBL ID CHEMBL286062
Phase Preclinical
Structure Type MOL
InChI Key ODLMAHJVESYWTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

120.2
MW (Da)
2.64
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H12
MW 120.19
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.35

Activity Summary

Kd 1 meas. best 4.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Endolysin
CHEMBL5206
Kd 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Endolysin Kd = 18000.0 nM 4.75 Dissociation constant against T4 lysozyme mutant L99A 15916423

Literature References

PubMed DOI Target Context # Activities
2993621 10.1021/jm00147a037 No relevant target 1
15916423 10.1021/jm0491187 Endolysin 1
17629592 10.1016/j.ejmech.2007.05.007 No relevant target 1
1271397 10.1021/jm00227a001 No relevant target 1
1271417 10.1021/jm00227a031 No relevant target 1
29100802 10.1016/j.bmcl.2017.09.041 No relevant target 1
31091098 10.1021/acs.jmedchem.9b00604 No relevant target 1

Data from ChEMBL 36 via Core Engine