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Compound Detail

CHEMBL1185603

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CC[n+]1ccccc1CN(C(C)=O)C(=O)OCCOCCOC(=O)NCC1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185603
Phase Preclinical
Structure Type MOL
InChI Key BLPCHIRDRWXODV-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
2.80
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H36N3O6+
MW 450.56
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.57

Data from ChEMBL 36 via Core Engine