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Compound Detail

CHEMBL3793714

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CCOC(=O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2cnc3c(N)nc(O)nc32)[C@](C)(O)[C@@H]1O)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793714
Phase Preclinical
Structure Type MOL
InChI Key IMPAFVXUYVRREB-ONZINJAMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

552.5
MW (Da)
0.87
ALogP
14
HBA
5
HBD
213.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H29N6O9P
MW 552.48
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.42

Literature References

PubMed DOI Target Context # Activities
26819659 10.1021/acsmedchemlett.5b00402 Hepatitis C virus 2
26819659 10.1021/acsmedchemlett.5b00402 PBMC 1
26819659 10.1021/acsmedchemlett.5b00402 CCRF-CEM 1
26819659 10.1021/acsmedchemlett.5b00402 Vero 1
26819659 10.1021/acsmedchemlett.5b00402 ADMET 1

Data from ChEMBL 36 via Core Engine