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Compound Detail

CHEMBL91487

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CC(C)OP(=O)(OC(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL91487
Phase Preclinical
Structure Type MOL
InChI Key DQACQTNYLKASSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
4.14
ALogP
7
HBA
0
HBD
105.0
PSA (Ų)
0.42
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 C13H18NO7P
MW 331.26
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
6298425 10.1021/jm00356a028 DNA polymerase catalytic subunit 1
6298425 10.1021/jm00356a028 Human alphaherpesvirus 1 1

Data from ChEMBL 36 via Core Engine