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

CHEMBL4075895

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
CCOc1ncccc1COc1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075895
Phase Preclinical
Structure Type MOL
InChI Key XMRZCHQXDMTJHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
4.84
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24Cl2N4O2
MW 459.38
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
29125744 10.1021/acs.jmedchem.7b01255 Trypanosoma brucei brucei 1
29125744 10.1021/acs.jmedchem.7b01255 Glycylpeptide N-tetradecanoyltransferase 1 1
29125744 10.1021/acs.jmedchem.7b01255 Unchecked 1
29125744 10.1021/acs.jmedchem.7b01255 MRC5 1

Data from ChEMBL 36 via Core Engine