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Compound Detail

CHEMBL15611

OLEIC ACID ANILIDE
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CCCCCCCC/C=C\CCCCCCCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL15611
Name OLEIC ACID ANILIDE
Phase Preclinical
Structure Type MOL
InChI Key YPUOCYKJOLQYQS-KTKRTIGZSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

357.6
MW (Da)
7.66
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.24
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H39NO
MW 357.58
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.11

Activity Summary

IC50 8 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
 IC50 7.7 7.7 20.0 1
Sterol O-acyltransferase 1
CHEMBL2782
 IC50 6.85 6.83 140.0 4
Sterol O-acyltransferase 2
CHEMBL4465
 IC50 6.77 6.77 170.0 2
Acyl-CoA:cholesterol acyltransferase
CHEMBL6141
 IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Sterol O-acyltransferase 1 IC50 = 20.0 nM 7.7 Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acy... 15261286
Sterol O-acyltransferase 1 IC50 = 140.0 nM 6.85 Concentration required to inhibit Acyl coenzyme A:cholesterol acyltransferase 1 15149654
Sterol O-acyltransferase 1 IC50 = 140.0 nM 6.85 Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 1 15261286
Sterol O-acyltransferase 1 IC50 = 140.0 nM 6.85 Inhibition of human ACAT1 expressed in Hi5 cells 16919944
Sterol O-acyltransferase 2 IC50 = 170.0 nM 6.77 Concentration required to inhibit Acyl coenzyme A:cholesterol acyltransferase 2 15149654
Sterol O-acyltransferase 1 IC50 = 170.0 nM 6.77 Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2 15261286
Sterol O-acyltransferase 2 IC50 = 170.0 nM 6.77 Inhibition of human ACAT2 expressed in Hi5 cells 16919944
Acyl-CoA:cholesterol acyltransferase IC50 = 26000.0 nM 4.58 In vitro inhibition of acyl coenzyme A:cholesterol acyltransferase, in intestina... 1578488

Literature References

PubMed DOI Target Context # Activities
15261286 10.1016/j.bmcl.2004.05.086 Sterol O-acyltransferase 1 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
15149654 10.1016/j.bmcl.2004.04.023 Sterol O-acyltransferase 1 1
15149654 10.1016/j.bmcl.2004.04.023 Sterol O-acyltransferase 2 1
1578488 10.1021/jm00087a016 Acyl-CoA:cholesterol acyltransferase 1
10328303 10.1016/s0960-894x(99)00148-1 Rattus norvegicus 1
16919944 10.1016/j.bmcl.2006.08.032 Sterol O-acyltransferase 1 1
16919944 10.1016/j.bmcl.2006.08.032 Sterol O-acyltransferase 2 1
16724860 10.1021/np060048b Sterol O-acyltransferase 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
36324496 10.1039/d2md00133k 20S proteasome 1

Data from ChEMBL 36 via Core Engine