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Compound Detail

CHEMBL4097373

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COP(=O)(CC/C=C(\C)CO)CP(=O)(OC)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4097373
Phase Preclinical
Structure Type MOL
InChI Key WBDWLPBTZIYMRG-UXBLZVDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.2
MW (Da)
2.68
ALogP
6
HBA
1
HBD
82.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H22O6P2
MW 300.23
Aromatic Rings 0
Heavy Atoms 18
NP-Likeness 1.11

Literature References

PubMed DOI Target Context # Activities
28218845 10.1021/acs.jmedchem.6b00965 Butyrophilin subfamily 3 member A1 4
28218845 10.1021/acs.jmedchem.6b00965 Unchecked 1
28218845 10.1021/acs.jmedchem.6b00965 K562 1

Data from ChEMBL 36 via Core Engine