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

CHEMBL2021450

CRASSIN ACETATE
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
C=C1C(=O)O[C@H]2C[C@@H]1C(OC(C)=O)C/C(C)=C/CC/C(C)=C/CC[C@@]2(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021450
Name CRASSIN ACETATE
Phase Preclinical
Structure Type MOL
InChI Key WMGWWFHPPNGBBT-PKFHLAFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.01
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H32O5
MW 376.49
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 3.12

Literature References

PubMed DOI Target Context # Activities
2778449 10.1021/np50063a010 P388 3
2778449 10.1021/np50063a010 HT-29 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine