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Compound Detail

CHEMBL2219612

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CCCCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+]1(C)CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219612
Phase Preclinical
Structure Type MOL
InChI Key PTOOVQCPDAXQRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

593.9
MW (Da)
8.38
ALogP
6
HBA
0
HBD
67.8
PSA (Ų)
0.05
QED
2
Ro5 Violations
28
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H64NO5PS
MW 593.90
Aromatic Rings 0
Heavy Atoms 39
NP-Likeness 0.13

Data from ChEMBL 36 via Core Engine