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Compound Detail

CHEMBL2180485

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CC(C)(C)c1ccc(-c2ccnc(CNC(=N)N)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180485
Phase Preclinical
Structure Type MOL
InChI Key VLROEEVBKZERJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
3.03
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N4
MW 282.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
23050700 10.1021/jm3012728 Staphylococcus aureus 4
23050700 10.1021/jm3012728 Cell division protein FtsZ 4
23050700 10.1021/jm3012728 Escherichia coli 3
23050700 10.1021/jm3012728 Enterococcus faecalis 2
23050700 10.1021/jm3012728 Unchecked 2

Data from ChEMBL 36 via Core Engine