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

CHEMBL258779

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
COC(=O)/C=C/c1[nH]c2cc(OC)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258779
Phase Preclinical
Structure Type MOL
InChI Key OPBLZOVDLJPAPO-VUOWKATKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
1.39
ALogP
5
HBA
2
HBD
100.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O5
MW 397.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.71

Literature References

PubMed DOI Target Context # Activities
18321710 10.1016/j.bmc.2008.02.050 NON-PROTEIN TARGET 1
18321710 10.1016/j.bmc.2008.02.050 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine