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Compound Detail

CHEMBL4301862

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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)OCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301862
Phase Preclinical
Structure Type MOL
InChI Key MKRUZSUSLADTBF-NNBJAINJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

988.4
MW (Da)
13.73
ALogP
7
HBA
0
HBD
85.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H83N2O6+
MW 988.39
Aromatic Rings 3
Heavy Atoms 73
NP-Likeness 1.39

Data from ChEMBL 36 via Core Engine