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Compound Detail

CHEMBL2079010

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C[N+](C)(C)C[C@@H]1COCC(c2ccccc2)(c2ccccc2)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2079010
Phase Preclinical
Structure Type MOL
InChI Key KKEGQSSUXOGEAF-LJQANCHMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.05
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 C20H26NO2+
MW 312.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.53

Data from ChEMBL 36 via Core Engine