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Compound Detail

CHEMBL3715108

LACTISOLE SODIUM
Phase I
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Phase I
COc1ccc(OC(C)C(=O)[O-])cc1.[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3715108
Name LACTISOLE SODIUM
Phase Phase I
Structure Type MOL
InChI Key SKORRGYRKQDXRS-UHFFFAOYSA-M
Parent Compound CHEMBL573448
Active Moiety CHEMBL573448

Known Names

Lactisole sodium
2
Targets
22
Activities
2
Assay Types
0
PK Parameters
0
Publications
1
Known Names
1
Indications

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

Extended Properties

Molecular Formula C10H11NaO4
MW 218.18
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.53

Indications

Nutrition Disorders

Activity Summary

IC50 12 meas. best 6.72
EC50 10 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T1R1/T1R3
CHEMBL3832641
 IC50 6.72 6.4875 190.0 4
T1R2/T1R3
CHEMBL3832642
 IC50 4.71 4.574 19600.0 5
T1R2/T1R3
CHEMBL3832642
 EC50 4.17 4.17 67000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T1R1/T1R3 IC50 = 190.0 nM 6.72 Inhibition of human T1R1/T1R3 expressed in HEK293T cells co-expressing Galpha15 ... -
T1R1/T1R3 IC50 = 210.0 nM 6.68 Inhibition of human T1R1/T1R3 expressed in HEK293T cells co-expressing Galpha15 ... -
T1R1/T1R3 IC50 = 350.0 nM 6.46 Inhibition of human T1R1/T1R3 expressed in HEK293T cells co-expressing Galpha15 ... -
T1R1/T1R3 IC50 = 820.0 nM 6.09 Inhibition of human T1R1/T1R3 expressed in HEK293T cells co-expressing Galpha15 ... -
T1R2/T1R3 IC50 = 19600.0 nM 4.71 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -
T1R2/T1R3 IC50 = 19900.0 nM 4.7 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -
T1R2/T1R3 IC50 = 22600.0 nM 4.65 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -
T1R2/T1R3 IC50 = 24000.0 nM 4.62 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -
T1R2/T1R3 IC50 = 64600.0 nM 4.19 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -
T1R2/T1R3 EC50 = 67000.0 nM 4.17 Inhibition of human T1R2/T1R3 expressed in HEK293T cells co-expressing Galpha15/... -

Data from ChEMBL 36 via Core Engine