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

CHEMBL4171163

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
O=C(NCCCCN1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21)C1CCC(C(F)(F)F)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4171163
Phase Preclinical
Structure Type MOL
InChI Key ZVPWVFUETFFESI-OTZNAKSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
5.15
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H42F3N3O
MW 481.65
Aromatic Rings 0
Heavy Atoms 34
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
29152054 10.1021/acsmedchemlett.7b00376 Human immunodeficiency virus 1 1
29152054 10.1021/acsmedchemlett.7b00376 MT4 1

Data from ChEMBL 36 via Core Engine