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Compound Detail

CHEMBL59657

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COc1ccc2c(c1)C(/C(=N/C#N)N(C)C)=CC(C)(C)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL59657
Phase Preclinical
Structure Type MOL
InChI Key MJUQBTVDGJBMIK-SDXDJHTJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
2.69
ALogP
4
HBA
0
HBD
57.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3O2
MW 285.35
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80551-5 Rattus norvegicus 2
- 10.1016/S0960-894X(01)80551-5 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine