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

CHEMBL1688859

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
CCc1c2c(nc3ccccc13)-c1c3c(c(CO)c(=O)n1C2)[C@@](O)(CC)C(=O)N3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688859
Phase Preclinical
Structure Type MOL
InChI Key NPUHIGJVAVADKL-QFIPXVFZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
2.03
ALogP
6
HBA
3
HBD
104.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3O4
MW 391.43
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.33

Literature References

PubMed DOI Target Context # Activities
21341674 10.1021/jm101354u NCI-H460 1

Data from ChEMBL 36 via Core Engine