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Compound Detail

CHEMBL3558367

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O=[N+]([O-])c1ccc(C[N+]23CC[C@@]45c6ccccc6N6[C@@H]7OC=C8C[N+]9(Cc%10ccc([N+](=O)[O-])cc%10)CC[C@]%10%11c%12ccccc%12N([C@@H]%12OCC=C(C2)[C@H](C[C@@H]43)[C@@H]%12[C@H]65)[C@H]%10[C@H]7[C@H]8C[C@@H]%119)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558367
Phase Preclinical
Structure Type MOL
InChI Key CKEORTDUQSXQTK-NIRAVVPFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

843.0
MW (Da)
7.47
ALogP
8
HBA
0
HBD
111.2
PSA (Ų)
0.09
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H50N6O6+2
MW 843.00
Aromatic Rings 4
Heavy Atoms 63
NP-Likeness 0.96

Data from ChEMBL 36 via Core Engine