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Compound Detail

CHEMBL505751

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C=CC[N+]1(Cc2cccc(O)c2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC(C)C)cc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505751
Phase Preclinical
Structure Type MOL
InChI Key JFEFOFYHVIMFRD-AIOAALFSSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

615.8
MW (Da)
4.88
ALogP
6
HBA
5
HBD
137.0
PSA (Ų)
0.11
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H43N4O6+
MW 615.75
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine