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Compound Detail

CHEMBL3582453

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CC(C)(C)n1c(-c2cccnc2)nc2ccc(F)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3582453
Phase Preclinical
Structure Type MOL
InChI Key CIYVNVQSMFMINZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
3.99
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16FN3
MW 269.32
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
26005536 10.1021/acsmedchemlett.5b00054 Cytochrome P450 11B2, mitochondrial 1
26005536 10.1021/acsmedchemlett.5b00054 Cytochrome P450 11B1, mitochondrial 1
26005536 10.1021/acsmedchemlett.5b00054 Unchecked 1

Data from ChEMBL 36 via Core Engine