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Compound Detail

CHEMBL5222214

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CCCCC(CCCCCCC[n+]1ccn(C)c1)Oc1ccc(C(=O)/C=C/c2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222214
Phase Preclinical
Structure Type MOL
InChI Key NVCKYRLTEMWQKV-VHEBQXMUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

463.6
MW (Da)
6.78
ALogP
4
HBA
0
HBD
48.2
PSA (Ų)
0.10
QED
1
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H39N2O3+
MW 463.64
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.10

Data from ChEMBL 36 via Core Engine