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Compound Detail

CHEMBL4206930

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Cc1cc(-c2noc(C(C)C)n2)cc(C)c1Oc1ccnc(C(=O)N(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4206930
Phase Preclinical
Structure Type MOL
InChI Key ULUBBWPIEFNZNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

380.4
MW (Da)
4.37
ALogP
6
HBA
0
HBD
81.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O3
MW 380.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
30034598 10.1021/acsmedchemlett.8b00134 H1-HeLa 1
30034598 10.1021/acsmedchemlett.8b00134 rhinovirus B14 1
30034598 10.1021/acsmedchemlett.8b00134 rhinovirus A21 1
30034598 10.1021/acsmedchemlett.8b00134 Unchecked 1

Data from ChEMBL 36 via Core Engine