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

CHEMBL3735740

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
CO[C@H]1CCN(c2nccc(Nc3cc4c(cn3)nc(C)n4C(C)C)n2)C[C@@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3735740
Phase Preclinical
Structure Type MOL
InChI Key WBAMFNDJQOEJFN-YOEHRIQHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

399.5
MW (Da)
3.42
ALogP
8
HBA
1
HBD
81.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26FN7O
MW 399.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.19

Activity Summary

Ki 2 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Epidermal growth factor receptor
CHEMBL203
 Ki 7.36 6.55 44.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Epidermal growth factor receptor Ki = 44.0 nM 7.36 Inhibition of human EGFR T790M/L858R double mutant using Fl-EEPLYWSFPAKKK-CONH2 ... 26455919
Epidermal growth factor receptor Ki = 1840.0 nM 5.74 Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate pre... 26455919

Literature References

PubMed DOI Target Context # Activities
26455919 10.1021/acs.jmedchem.5b01412 Epidermal growth factor receptor 2
26455919 10.1021/acs.jmedchem.5b01412 No relevant target 1

Data from ChEMBL 36 via Core Engine