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Compound Detail

CHEMBL1187853

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OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3ccccc3)(CC1)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187853
Phase Preclinical
Structure Type MOL
InChI Key VLCYSUDIOLZSJK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
5.39
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H34NO2+
MW 428.60
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.07

Data from ChEMBL 36 via Core Engine