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Compound Detail

CHEMBL3558231

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CC(C)(CN1C(=O)c2cccc3cccc(c23)C1=O)C[N+](C)(C)CCCCCC[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(CO)c1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3558231
Phase Preclinical
Structure Type MOL
InChI Key ICDMIDKSZQHGHA-QSCMEFCYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

683.9
MW (Da)
6.56
ALogP
5
HBA
1
HBD
83.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H57N3O5+2
MW 683.93
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness 0.35

Data from ChEMBL 36 via Core Engine