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Compound Detail

CHEMBL1621019

FATOSTATIN
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CCCc1cc(-c2nc(-c3ccc(C)cc3)cs2)ccn1

Basic Information

ChEMBL ID CHEMBL1621019
Name FATOSTATIN
Phase Preclinical
Structure Type MOL
InChI Key ZROSUBKIGBSZCG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.4
MW (Da)
5.13
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N2S
MW 294.42
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.66

Activity Summary

IC50 2 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sterol regulatory element-binding protein 2
CHEMBL1795166
IC50 5.25 5.125 5600.0 2

Pharmacokinetic Data

Parameter Value Units Species
CL 606000.0 mL.min-1.g-1 Mus musculus
T1/2 0.1683 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24967731 10.1021/jm500833f Mycobacterium tuberculosis 8
21561152 10.1021/jm200304y Hepatocyte 3
21561152 10.1021/jm200304y Sterol regulatory element-binding protein 2 2
21561152 10.1021/jm200304y No relevant target 2
21561152 10.1021/jm200304y ADMET 2
24967731 10.1021/jm500833f No relevant target 1

Data from ChEMBL 36 via Core Engine