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Compound Detail

CHEMBL1182448

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C[N+]1(CC#CCOc2cc(-c3ccccc3)on2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1182448
Phase Preclinical
Structure Type MOL
InChI Key ZAHVCXLNNGUMKR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
2.96
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.64
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 C18H21N2O2+
MW 297.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.66

Data from ChEMBL 36 via Core Engine