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Compound Detail

CHEMBL115209

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

Basic Information

ChEMBL ID CHEMBL115209
Phase Preclinical
Structure Type MOL
InChI Key DQOCOMFFQHKFSC-GZEOCVMTSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

538.5
MW (Da)
2.10
ALogP
9
HBA
3
HBD
153.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28FN4O8P
MW 538.47
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.14

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