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

CHEMBL463028

12,13-DIBROMOPSEUROTIN A
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
CC[C@H](Br)[C@@H](Br)[C@H](O)[C@H](O)C1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463028
Name 12,13-DIBROMOPSEUROTIN A
Phase Preclinical
Structure Type MOL
InChI Key LDAAGGJQWQILET-AMOXFCCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

591.2
MW (Da)
0.97
ALogP
8
HBA
4
HBD
142.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25Br2NO8
MW 591.25
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.61

Literature References

PubMed DOI Target Context # Activities
19179074 10.1016/j.bmcl.2009.01.029 Unchecked 1

Data from ChEMBL 36 via Core Engine