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Compound Detail

CHEMBL4567638

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CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)Nc4ccccc4)CC3)nc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567638
Phase Preclinical
Structure Type MOL
InChI Key DZIRJROFDGMTGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

422.4
MW (Da)
1.86
ALogP
7
HBA
2
HBD
120.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N6O4
MW 422.45
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
31307763 10.1016/j.bmc.2019.06.025 Staphylococcus aureus 6
31307763 10.1016/j.bmc.2019.06.025 DNA gyrase 2
31307763 10.1016/j.bmc.2019.06.025 Escherichia coli 1
31307763 10.1016/j.bmc.2019.06.025 Unchecked 1

Data from ChEMBL 36 via Core Engine