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Compound Detail

CHEMBL105242

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O=C(OC1CN2CCC1CC2)C(O)(CN1CCCCC1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL105242
Phase Preclinical
Structure Type MOL
InChI Key NCDUQVNSVKLEEI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

358.5
MW (Da)
2.00
ALogP
5
HBA
1
HBD
53.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N2O3
MW 358.48
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness 0.14

Data from ChEMBL 36 via Core Engine