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Compound Detail

CHEMBL4781979

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CN(C)C(=O)c1cccc(NC2=NC(=O)C(c3ccccc3)N2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4781979
Phase Preclinical
Structure Type MOL
InChI Key AWMJVRZOVOHMLU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
1.73
ALogP
5
HBA
3
HBD
94.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O3
MW 338.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
34055234 10.1021/acsmedchemlett.1c00113 C-X-C chemokine receptor type 2 1
34055234 10.1021/acsmedchemlett.1c00113 C-X-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine