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

CHEMBL5183344

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
CN(C(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCNCC1=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5183344
Phase Preclinical
Structure Type MOL
InChI Key RQNRYHVDOJKKBG-IBGZPJMESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
0.81
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O3
MW 394.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.14

Activity Summary

EC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
34592608 10.1016/j.ejmech.2021.113848 Human immunodeficiency virus 1 2
34592608 10.1016/j.ejmech.2021.113848 ADMET 2
34592608 10.1016/j.ejmech.2021.113848 MT4 1

Data from ChEMBL 36 via Core Engine