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Compound Detail

CHEMBL1182502

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C[N+]12CCC(CC1)/C(=N/OCC#CCOc1ccon1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182502
Phase Preclinical
Structure Type MOL
InChI Key NXCKPTJICMBRCF-JQIJEIRASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
1.30
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N3O3+
MW 290.34
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.33

Data from ChEMBL 36 via Core Engine