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Compound Detail

CHEMBL1178611

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COC(=O)CC(CC(=O)OC)OC[n+]1ccc(N)nc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1178611
Phase Preclinical
Structure Type MOL
InChI Key NHMIKDBXFQPGMW-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

284.3
MW (Da)
-0.58
ALogP
7
HBA
1
HBD
104.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N3O5+
MW 284.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.44

Data from ChEMBL 36 via Core Engine