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Compound Detail

CHEMBL4446344

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Cl.O=C(O)[C@H]1C2C=CC(CC2)[C@@H]1Nc1nc2cnc(-c3c[nH]c4ncc(F)cc34)nc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4446344
Phase Preclinical
Structure Type MOL
InChI Key DPDXQBLMOUNPEG-PTZRGWEZSA-N
Parent Compound CHEMBL4595676
Active Moiety CHEMBL4595676
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.85
ALogP
7
HBA
3
HBD
116.7
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 C21H18ClFN6O2S
MW 472.93
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.72

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