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Compound Detail

CHEMBL1529009

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O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1529009
Phase Preclinical
Structure Type MOL
InChI Key IECBEVAUEBZJCF-SPIKMXEPSA-N
Parent Compound CHEMBL419296
Active Moiety CHEMBL419296
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.6
MW (Da)
5.16
ALogP
5
HBA
1
HBD
37.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N3O9S
MW 613.69
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.06

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