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Compound Detail

CHEMBL5180043

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CCCCCCn1c(=O)c2c3c(sc2n2cnnc12)CC(C(C)(C)C)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5180043
Phase Preclinical
Structure Type MOL
InChI Key HLQHXOAXVIYVBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
4.84
ALogP
6
HBA
0
HBD
52.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N4OS
MW 386.57
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
35292344 10.1016/j.bmcl.2022.128673 rhinovirus B14 1
35292344 10.1016/j.bmcl.2022.128673 rhinovirus A21 1
35292344 10.1016/j.bmcl.2022.128673 Unchecked 1
35292344 10.1016/j.bmcl.2022.128673 H1-HeLa 1

Data from ChEMBL 36 via Core Engine