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Compound Detail

CHEMBL4461517

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COc1cc(/C(O)=C(\C#N)C(=O)N2CCCCC2)cc([N+](=O)[O-])c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4461517
Phase Preclinical
Structure Type MOL
InChI Key IKEBHRCRHBYUSM-QINSGFPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.42
ALogP
7
HBA
1
HBD
125.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N3O6
MW 361.35
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine