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

CHEMBL2375628

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
Cc1nc(-c2ccccn2)nc(NCCNc2ccc(C(F)(F)F)cn2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2375628
Phase Preclinical
Structure Type MOL
InChI Key RKRMHCLBTVBYAU-UHFFFAOYSA-N
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
4.44
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClF3N6
MW 408.81
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.90

Activity Summary

EC50 4 meas. best 6.55
IC50 4 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Methionine aminopeptidase 1
CHEMBL2474
 EC50 6.55 6.55 280.0 1
Unchecked
CHEMBL612545
 IC50 6.17 5.46 670.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.72 5.72 1900.0 1
Methionine aminopeptidase 1
CHEMBL2474
 IC50 5.7 5.7 2000.0 1
HUVEC
CHEMBL613979
 EC50 5.37 5.37 4300.0 1
HeLa
CHEMBL399
 EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Methionine aminopeptidase 1 EC50 = 280.0 nM 6.55 Inhibition of human methionine aminopeptidase 1 in presence of Co2+ 23634668
Unchecked IC50 = 670.0 nM 6.17 Inhibition of full length human MetAP1b using methionine para-nitroamilide as su... 23767698
NON-PROTEIN TARGET EC50 = 1900.0 nM 5.72 Antiproliferative activity against HDFa cells after 30 hrs by [3H]-thymidine inc... 23634668
Methionine aminopeptidase 1 IC50 = 2000.0 nM 5.7 Inhibition of human recombinant full-length cytosolic METAP1 expressed in Escher... 23507151
HUVEC EC50 = 4300.0 nM 5.37 Antiproliferative activity against HUVEC after 30 hrs by [3H]-thymidine incorpor... 23634668
Unchecked IC50 = 7380.0 nM 5.13 Inhibition of Enterococcus faecalis MetAP1a using methionine para-nitroamilide a... 23767698
Unchecked IC50 = 8400.0 nM 5.08 Inhibition of full length Mycobacterium tuberculosis MetAP1c using methionine pa... 23767698
HeLa EC50 = 10000.0 nM 5.0 Antiproliferative activity against human HeLa cells after 30 hrs by [3H]-thymidi... 23634668

Literature References

PubMed DOI Target Context # Activities
23634668 10.1021/jm400227z Methionine aminopeptidase 1 9
23767698 10.1021/jm400395p Unchecked 5
23634668 10.1021/jm400227z HUVEC 2
23634668 10.1021/jm400227z No relevant target 1
23634668 10.1021/jm400227z NON-PROTEIN TARGET 1
23634668 10.1021/jm400227z HeLa 1
23507151 10.1016/j.bmc.2013.02.023 Unchecked 1
23507151 10.1016/j.bmc.2013.02.023 Methionine aminopeptidase 2 1
23507151 10.1016/j.bmc.2013.02.023 Methionine aminopeptidase 1 1

Data from ChEMBL 36 via Core Engine