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Compound Detail

CHEMBL1180093

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COc1cc(OCCCc2c[nH]cn2)ccc1/C(C)=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180093
Phase Preclinical
Structure Type MOL
InChI Key UJFBCRSHBJELJN-WOJGMQOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
2.63
ALogP
5
HBA
2
HBD
79.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O3
MW 289.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.47

Data from ChEMBL 36 via Core Engine