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Compound Detail

CHEMBL573448

LACTISOLE
Phase I
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Phase I
COc1ccc(OC(C)C(=O)O)cc1

Basic Information

ChEMBL ID CHEMBL573448
Name LACTISOLE
Phase Phase I
Structure Type MOL
InChI Key MIEKOFWWHVOKQX-UHFFFAOYSA-N

Known Names

Lactisol NSC-352144
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names

Molecular Properties

196.2
MW (Da)
1.55
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product

Extended Properties

Molecular Formula C10H12O4
MW 196.20
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.53

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.16 4.16 70000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 70000.0 nM 4.16 Antagonist activity at human T1R2/T1R3 receptor expressed in HEK293E cells asses... 19817384

Literature References

PubMed DOI Target Context # Activities
19817384 10.1021/jm900823s Unchecked 2

Data from ChEMBL 36 via Core Engine