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Compound Detail

CHEMBL5275463

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CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1N[C@@H](c2c[nH]c3c(N)ncnc23)[C@H](O)[C@@H]1O)Oc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5275463
Phase Preclinical
Structure Type MOL
InChI Key SSQDDSDWZVXKNF-XLMFITMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
1.41
ALogP
11
HBA
6
HBD
193.9
PSA (Ų)
0.16
QED
3
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N6O7P
MW 534.51
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
37077387 10.1021/acsmedchemlett.3c00048 Huh-7 2
37077387 10.1021/acsmedchemlett.3c00048 Vero 76 2
37077387 10.1021/acsmedchemlett.3c00048 dengue virus type 2 1
37077387 10.1021/acsmedchemlett.3c00048 Yellow fever virus 1
37077387 10.1021/acsmedchemlett.3c00048 Influenza A virus 1
37077387 10.1021/acsmedchemlett.3c00048 MDCK 1
37077387 10.1021/acsmedchemlett.3c00048 Middle East respiratory syndrome-related coronavirus 1
37077387 10.1021/acsmedchemlett.3c00048 Rift Valley fever virus 1

Data from ChEMBL 36 via Core Engine