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Compound Detail

CHEMBL1193958

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CCn1c(=O)n(C(=O)OC2CC3CCC(C2)N3C)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193958
Phase Preclinical
Structure Type MOL
InChI Key JJZXGTBGAPUCHC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
2.43
ALogP
6
HBA
0
HBD
56.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O3
MW 329.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.09

Data from ChEMBL 36 via Core Engine