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Compound Detail

CHEMBL1277754

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CC(=O)Oc1cc2c(cc1C(C)C)CC[C@H]1[C@](C)(CO)CCC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1277754
Phase Preclinical
Structure Type MOL
InChI Key BNZJGBGPSWQEAU-FDFHNCONSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

344.5
MW (Da)
4.74
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H32O3
MW 344.50
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 2.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20934345 10.1016/j.bmc.2010.09.035 Replicase polyprotein 1ab 2

Data from ChEMBL 36 via Core Engine