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

CHEMBL4439930

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
CC1=C[C@@H]2/C=C(\C)CC[C@@H](O)C(=O)[C@H]3[C@H](C(=O)[C@]24C(=O)N[C@@H](CC(C)C)[C@@H]4[C@@H]1C)[C@@H]1O[C@H]3c2c(O)c(O)c(O)c(C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439930
Phase Preclinical
Structure Type MOL
InChI Key KQRAUHDTXGNMBP-XGBDJWMISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

579.7
MW (Da)
4.07
ALogP
8
HBA
5
HBD
153.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H41NO8
MW 579.69
Aromatic Rings 1
Heavy Atoms 42
NP-Likeness 2.27

Literature References

PubMed DOI Target Context # Activities
31674782 10.1021/acs.jnatprod.9b00512 Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine