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Compound Detail

CHEMBL1197389

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C[N+]1(C)CCCC1c1ccc(C(O)(c2ccccc2)c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1197389
Phase Preclinical
Structure Type MOL
InChI Key LPJZXUYTCJIHTG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.5
MW (Da)
4.48
ALogP
2
HBA
1
HBD
33.4
PSA (Ų)
0.71
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 C23H26NO2+
MW 348.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.51

Data from ChEMBL 36 via Core Engine