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Compound Detail

CHEMBL3303855

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c1cc2c3c(c1)O[C@H]1CCC[C@H]4[C@@H](C2)NCC[C@]314
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3303855
Phase Preclinical
Structure Type MOL
InChI Key QONGLMDHKNFCDX-CQJJVWNLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

241.3
MW (Da)
2.40
ALogP
2
HBA
1
HBD
21.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19NO
MW 241.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.70

Data from ChEMBL 36 via Core Engine