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Compound Detail

CHEMBL4531623

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C/C(=C\CCCCP(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531623
Phase Preclinical
Structure Type MOL
InChI Key YKOFLJHBCQQVQI-LFIBNONCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
4.42
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.16
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H37O8P
MW 436.48
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
31268699 10.1021/acs.jmedchem.9b00825 Butyrophilin subfamily 3 member A1 5
31268699 10.1021/acs.jmedchem.9b00825 ADMET 2
31268699 10.1021/acs.jmedchem.9b00825 No relevant target 1

Data from ChEMBL 36 via Core Engine