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

CHEMBL4217291

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
CCN(CC)CCCC(C)Nc1ccnc2c1CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217291
Phase Preclinical
Structure Type MOL
InChI Key MOVIASWXDGPRKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

289.5
MW (Da)
3.88
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31N3
MW 289.47
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
30034591 10.1021/acsmedchemlett.8b00053 Unchecked 2
30034591 10.1021/acsmedchemlett.8b00053 Leishmania tropica 1
30034591 10.1021/acsmedchemlett.8b00053 Leishmania infantum 1
30034591 10.1021/acsmedchemlett.8b00053 THP-1 1

Data from ChEMBL 36 via Core Engine