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

CHEMBL52574

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
CCOC(=O)c1oc2cccc(OCCCOCc3cccnc3)c2c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52574
Phase Preclinical
Structure Type MOL
InChI Key BFCSTSHTHQARHU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.30
ALogP
6
HBA
0
HBD
70.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23NO5
MW 369.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
11459642 10.1016/s0960-894x(01)00319-5 Peptide N-myristoyltransferase 2
11459642 10.1016/s0960-894x(01)00319-5 Candida albicans 1

Data from ChEMBL 36 via Core Engine