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Compound Detail

CHEMBL6069241

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O=C(NCCCOc1cccc([C@](O)(C(=O)O[C@@H]2CCCN(Cc3ccccc3)C2)c2ccccc2)c1)c1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1

Basic Information

ChEMBL ID CHEMBL6069241
Phase Preclinical
Structure Type MOL
InChI Key RTZPKFDQPJIYDL-WEAMJJDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

811.0
MW (Da)
5.70
ALogP
10
HBA
6
HBD
173.4
PSA (Ų)
0.05
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H50N4O8
MW 810.95
Aromatic Rings 6
Heavy Atoms 60
NP-Likeness -0.54

Data from ChEMBL 36 via Core Engine