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Compound Detail

CHEMBL1190002

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C[N+](C)(C)CC1COC(c2ccccc2)(c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190002
Phase Preclinical
Structure Type MOL
InChI Key ICKYAYPRNVIBMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.01
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.81
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 C19H24NO2+
MW 298.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine