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Compound Detail

CHEMBL4452851

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Cn1cnc2nc(-c3c[nH]c4ncc(F)cc34)nc(N[C@H]3C4C=CC(CC4)[C@@H]3C(=O)O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452851
Phase Preclinical
Structure Type MOL
InChI Key WAYDSOPQOXNVLP-VVUBSENTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
3.12
ALogP
7
HBA
3
HBD
121.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FN7O2
MW 433.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
31493987 10.1016/j.bmcl.2019.126639 Unchecked 2
31493987 10.1016/j.bmcl.2019.126639 PBMC 1
31493987 10.1016/j.bmcl.2019.126639 CCRF-CEM 1
31493987 10.1016/j.bmcl.2019.126639 Vero 1
31493987 10.1016/j.bmcl.2019.126639 Huh-7 1
31493987 10.1016/j.bmcl.2019.126639 A549 1

Data from ChEMBL 36 via Core Engine