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Compound Detail

CHEMBL4301568

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CCN(CC)c1ccc2c(c1)OC1=CC(=[N+](CC)CC)C=CC1C2c1ccccc1C(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301568
Phase Preclinical
Structure Type MOL
InChI Key ZDWCISGUJUKATI-QTAHIPQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

912.3
MW (Da)
12.16
ALogP
7
HBA
0
HBD
85.2
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C59H79N2O6+
MW 912.29
Aromatic Rings 2
Heavy Atoms 67
NP-Likeness 1.59

Data from ChEMBL 36 via Core Engine