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Compound Detail

CHEMBL112867

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CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N=C(N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112867
Phase Preclinical
Structure Type MOL
InChI Key NEDFGANMDRCNSI-NEPJUHHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.71
ALogP
1
HBA
2
HBD
81.5
PSA (Ų)
0.63
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 C14H19N3O
MW 245.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
11563929 10.1021/jm010100v Sodium/hydrogen exchanger 1 1
38308950 10.1016/j.ejmech.2024.116170 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine