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Compound Detail

CHEMBL323790

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COC(=O)[C@H](Cc1c[nH]c2ccccc12)NP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323790
Phase Preclinical
Structure Type MOL
InChI Key IVQQHVQAJBYSCW-BGDKIBOASA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

524.4
MW (Da)
1.44
ALogP
8
HBA
4
HBD
164.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26FN4O8P
MW 524.44
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness 0.27

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9341906 10.1021/jm960694f ADMET 2
9341906 10.1021/jm960694f CCRF-CEM 1

Data from ChEMBL 36 via Core Engine