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

CHEMBL1687948

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
CO[C@H]1Cc2cc(C(F)(F)F)ccc2[C@@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1687948
Phase Preclinical
Structure Type MOL
InChI Key NLPKHHZDESNXNS-SQOVJYTMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

545.6
MW (Da)
4.43
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H38F3N5O2
MW 545.65
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
24900235 10.1021/ml1001536 C-C chemokine receptor type 5 1

Data from ChEMBL 36 via Core Engine