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Compound Detail

CHEMBL1314409

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C#CCN(C)C(C)Cc1ccccc1.Cl

Basic Information

ChEMBL ID CHEMBL1314409
Phase Preclinical
Structure Type MOL
InChI Key IYETZZCWLLUHIJ-UHFFFAOYSA-N
Parent Compound CHEMBL8663
Active Moiety CHEMBL8663
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

187.3
MW (Da)
2.18
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18ClN
MW 223.75
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.95

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine