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Compound Detail

CHEMBL3793038

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C=C(OCC)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793038
Phase Preclinical
Structure Type MOL
InChI Key PIIDBFJLCANZJO-MQMRNCCQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
-0.58
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N5O5
MW 351.36
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.98

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