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

CHEMBL4172655

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[C@H]1/C=C/OC(=O)O[C@@]23C(=O)N[C@@H](Cc4ccccc4)[C@@H]2[C@H](C)[C@@]2(C)OC2[C@@H]3/C=C/C[C@H](C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172655
Phase Preclinical
Structure Type MOL
InChI Key PFFZGQDUBVVLRD-UAMSVJQBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.6
MW (Da)
3.97
ALogP
6
HBA
1
HBD
94.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H33NO6
MW 479.57
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 2.60

Literature References

PubMed DOI Target Context # Activities
29016131 10.1021/acs.jnatprod.6b00878 Human immunodeficiency virus 1 2
29016131 10.1021/acs.jnatprod.6b00878 SUP-T1 1

Data from ChEMBL 36 via Core Engine