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Compound Detail

CHEMBL3218772

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Cc1cc(NC(=O)Cn2cc(-c3ccc(F)cc3)nn2)no1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3218772
Phase Preclinical
Structure Type MOL
InChI Key QESBNNRPPNESOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.02
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12FN5O2
MW 301.28
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.94

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1
31125222 10.1021/acs.jmedchem.9b00517 BMDM 1

Data from ChEMBL 36 via Core Engine