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Compound Detail

CHEMBL78270

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CCCCCCCCCCCCn1nnc(C(C(=O)Nc2ccc(F)cc2F)c2ccccc2)n1

Basic Information

ChEMBL ID CHEMBL78270
Phase Preclinical
Structure Type MOL
InChI Key SHWVSJMDDYMIGI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
6.64
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.25
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H35F2N5O
MW 483.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.47

Activity Summary

IC50 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol O-acyltransferase 1
CHEMBL285
IC50 7.51 7.51 31.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8691430 10.1021/jm960170f Sterol O-acyltransferase 1 2
8691430 10.1021/jm960170f Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine