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Compound Detail

CHEMBL3580897

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CNc1ncnc2c1ccn2[C@@H]1C(F)=C(CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580897
Phase Preclinical
Structure Type MOL
InChI Key VSFVETUARRCRFM-MXWKQRLJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

294.3
MW (Da)
-0.03
ALogP
7
HBA
4
HBD
103.4
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15FN4O3
MW 294.29
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
26010585 10.1021/acs.jmedchem.5b00553 NON-PROTEIN TARGET 2
26010585 10.1021/acs.jmedchem.5b00553 Adenosylhomocysteinase 1
26010585 10.1021/acs.jmedchem.5b00553 A549 1
26010585 10.1021/acs.jmedchem.5b00553 HCT-116 1
26010585 10.1021/acs.jmedchem.5b00553 MDA-MB-231 1
26010585 10.1021/acs.jmedchem.5b00553 PC-3 1

Data from ChEMBL 36 via Core Engine