Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1807075

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
FC(F)(F)c1cc(/N=N/Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807075
Phase Preclinical
Structure Type MOL
InChI Key UMCBDFKFYOZVOW-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

402.1
MW (Da)
7.14
ALogP
2
HBA
1
HBD
36.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H7Cl2F6N3
MW 402.12
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.13

Activity Summary

IC50 3 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 5.49 5.49 3260.0 1
ADMET
CHEMBL612558
 IC50 4.62 4.62 24220.0 1
HeLa
CHEMBL399
 IC50 4.23 4.23 58380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 3260.0 nM 5.49 Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 6 days... 24631899
ADMET IC50 = 24220.0 nM 4.62 Cytotoxicity against mouse J774A1 cells after 24 hrs by neutral red dye uptake a... 24631899
HeLa IC50 = 58380.0 nM 4.23 Cytotoxicity against human HeLa cells after 72 hrs by MTT assay 21550697

Literature References

PubMed DOI Target Context # Activities
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium tuberculosis 9
24631899 10.1016/j.ejmech.2014.02.065 Salmonella typhimurium 4
24631899 10.1016/j.ejmech.2014.02.065 ADMET 2
21550697 10.1016/j.ejmech.2011.04.024 HeLa 1
24631899 10.1016/j.ejmech.2014.02.065 Unchecked 1
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium tuberculosis variant bovis 1
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium avium subsp. paratuberculosis 1
24631899 10.1016/j.ejmech.2014.02.065 NON-PROTEIN TARGET 1
24631899 10.1016/j.ejmech.2014.02.065 Mycobacterium ulcerans 1

Data from ChEMBL 36 via Core Engine