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

CHEMBL4176927

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
CS(=O)(=O)c1ccc(CC(=O)NCCCCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176927
Phase Preclinical
Structure Type MOL
InChI Key XHOWRYBMCLOCSK-ONRXEWETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

499.7
MW (Da)
3.42
ALogP
5
HBA
1
HBD
69.7
PSA (Ų)
0.44
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 C28H41N3O3S
MW 499.72
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.26

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