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Compound Detail

CHEMBL1193366

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CC(=N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193366
Phase Preclinical
Structure Type MOL
InChI Key LRKZMAAORIFJMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
1.29
ALogP
5
HBA
2
HBD
86.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O4
MW 330.38
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.12

Data from ChEMBL 36 via Core Engine