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Compound Detail

CHEMBL4597134

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O=C(OC1C[N+]2(Cc3ccccc3)CCC1CC2)C(O)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597134
Phase Preclinical
Structure Type MOL
InChI Key ISYJFICEZXSCQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
4.27
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30NO3+
MW 428.55
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness 0.19

Data from ChEMBL 36 via Core Engine