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Compound Detail

CHEMBL4303001

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CC(=O)N(C/C=C/P(=O)(O)O)OCc1ccc(C(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4303001
Phase Preclinical
Structure Type MOL
InChI Key BLGMWKSBNXCKNK-ONNFQVAWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.3
MW (Da)
2.78
ALogP
3
HBA
2
HBD
87.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22NO5P
MW 327.32
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine