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Compound Detail

CHEMBL274185

LECIMIBIDE
🧪 Phase II
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🧪 Phase II
CCCCCCCN(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1ccc(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274185
Name LECIMIBIDE
Phase Phase II
Structure Type MOL
InChI Key TVXOXGBTADZYCZ-UHFFFAOYSA-N

Known Names

DUP 128 DUP-128 DUP128 Lecimibida Lecimibide
6
Targets
21
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

590.8
MW (Da)
9.79
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1994

Extended Properties

Molecular Formula C34H40F2N4OS
MW 590.78
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.46

Activity Summary

IC50 21 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
 IC50 8.0 7.9688 10.0 8
Sterol O-acyltransferase 2
CHEMBL2856
 IC50 8.0 8.0 10.0 1
Unchecked
CHEMBL612545
 IC50 8.0 7.39 10.0 6
Acetyl-CoA acetyltransferase, mitochondrial
CHEMBL2616
 IC50 6.62 6.62 239.0 1
Sterol O-acyltransferase 1
CHEMBL4464
 IC50 6.09 6.0225 820.0 4
J774
CHEMBL614123
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 Concentration required to inhibit 50% activity of Acyl coenzyme A:cholesterol ac... 7707310
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 ACAT activity was determined in rat hepatic microsomes by measuring the formatio... 7707310
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 Concentration required for the inhibition of cholesterol O-acyl transferase (ACA... -
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... -
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase in rat hepati... 7932580
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat... -
Sterol O-acyltransferase 2 IC50 = 10.0 nM 8.0 Inhibition of ACAT2 in rat hepatic microsomes 29945757
Unchecked IC50 = 10.0 nM 8.0 Inhibition of rat hepatic microsome SOAT 36473091
Sterol O-acyltransferase 1 IC50 = 10.0 nM 8.0 In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase (ACAT) in rat... -
Sterol O-acyltransferase 1 IC50 = 18.0 nM 7.75 Compound was evaluated for the Acyl coenzyme A:cholesterol acyltransferase inhib... 8126693
Unchecked IC50 = 20.0 nM 7.7 Inhibition of SOAT2 in New Zealand white rabbit intestinal microsomes assessed a... 29945757
Unchecked IC50 = 25.0 nM 7.6 Acyl coenzyme A:cholesterol acyltransferase activity was determined in J774 macr... 7707310
Unchecked IC50 = 25.0 nM 7.6 Inhibition of SOAT (unknown origin) in macrophage 36473091
Unchecked IC50 = 36.0 nM 7.44 Inhibition of SOAT1 in arterial homogenates isolated from 1% cholesterol fed New... 29945757
Acetyl-CoA acetyltransferase, mitochondrial IC50 = 239.0 nM 6.62 Inhibition of ACAT1 (unknown origin) 38569434
Sterol O-acyltransferase 1 IC50 = 820.0 nM 6.09 Inhibition of ACAT1 in mouse J774 cells assessed as reduction in esterified chol... 29945757
Unchecked IC50 = 1000.0 nM 6.0 Acyl coenzyme A:cholesterol acyltransferase inhibition in cell culture measured ... 7707310
J774 IC50 = 1000.0 nM 6.0 Concentration required to inhibit 50% activity of J774 macrophage cholesterol es... 7707310
Sterol O-acyltransferase 1 IC50 = 1000.0 nM 6.0 Inhibition of Acyl coenzyme A:cholesterol acyltransferase in J774 Macrophage cel... -
Sterol O-acyltransferase 1 IC50 = 1000.0 nM 6.0 Inhibition of acyl coenzyme A:cholesterol acyltransferase (ACAT) in J774 Macroph... -

Literature References

PubMed DOI Target Context # Activities
8126693 10.1021/jm00031a002 Rattus norvegicus 21
7932580 10.1021/jm00047a009 Cricetinae gen. sp. 4
29945757 10.1016/j.bmc.2018.06.024 Unchecked 3
7707310 10.1021/jm00007a004 Sterol O-acyltransferase 1 2
7707310 10.1021/jm00007a004 Unchecked 2
36473091 10.1021/acs.jmedchem.2c01265 Unchecked 2
29945757 10.1016/j.bmc.2018.06.024 Sterol O-acyltransferase 1 2
- 10.1016/0960-894X(95)00003-C Sterol O-acyltransferase 1 2
- 10.1016/0960-894X(95)00001-A Sterol O-acyltransferase 1 2
38569434 10.1016/j.ejmech.2024.116333 Acetyl-CoA acetyltransferase, mitochondrial 1
- 10.1016/0960-894X(95)00002-B Sterol O-acyltransferase 1 1
36473091 10.1021/acs.jmedchem.2c01265 Syrian golden hamster 1
29945757 10.1016/j.bmc.2018.06.024 Sterol O-acyltransferase 2 1
7932580 10.1021/jm00047a009 Sterol O-acyltransferase 1 1
- 10.1016/0960-894X(95)00003-C Cricetinae gen. sp. 1
8126693 10.1021/jm00031a002 Sterol O-acyltransferase 1 1
- 10.1016/S0960-894X(00)80149-3 Acyl-CoA:cholesterol acyltransferase 1
- 10.1016/S0960-894X(00)80149-3 Sterol O-acyltransferase 1 1
- 10.1016/S0960-894X(00)80149-3 No relevant target 1
7707310 10.1021/jm00007a004 J774 1

Data from ChEMBL 36 via Core Engine