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Compound Detail

CHEMBL4470362

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COc1ncc(-c2cccc(Cl)c2-c2cc3cnc(N)nc3nc2N2C[C@@H]3[C@@H](N)[C@@H]3C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4470362
Phase Preclinical
Structure Type MOL
InChI Key FNLUSGXVZGXSSY-IGOJGBNBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

477.9
MW (Da)
3.53
ALogP
8
HBA
2
HBD
116.1
PSA (Ų)
0.46
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 C24H21ClFN7O
MW 477.93
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
31306011 10.1021/acs.jmedchem.9b00625 Escherichia coli 6
31306011 10.1021/acs.jmedchem.9b00625 Pseudomonas aeruginosa 3
31306011 10.1021/acs.jmedchem.9b00625 Biotin carboxylase 1
31306011 10.1021/acs.jmedchem.9b00625 Acinetobacter baumannii 1
31306011 10.1021/acs.jmedchem.9b00625 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine