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Compound Detail

CHEMBL55577

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CC(C)(c1cccnc1)C(N)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL55577
Phase Preclinical
Structure Type MOL
InChI Key COOQBHJUNJAEJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
2.45
ALogP
3
HBA
1
HBD
51.8
PSA (Ų)
0.88
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 C14H17N3
MW 227.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.50

Literature References

PubMed DOI Target Context # Activities
6606707 10.1021/jm00367a004 Cytochrome P450 11B1, mitochondrial 1

Data from ChEMBL 36 via Core Engine