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Compound Detail

CHEMBL4780307

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CCOC(=O)CNP(=O)(CCC=C(C)C)Oc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780307
Phase Preclinical
Structure Type MOL
InChI Key BBXRNDBOBQPOMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.92
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26NO4P
MW 375.41
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
33488975 10.1021/acsmedchemlett.0c00586 Butyrophilin subfamily 3 member A1 1

Data from ChEMBL 36 via Core Engine