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Compound Detail

CHEMBL368188

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CN1CCC[C@@H]2Cc3c(O)cccc3C[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368188
Phase Preclinical
Structure Type MOL
InChI Key DJVDGVSUMTWLER-DGCLKSJQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
2.20
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.72
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 C14H19NO
MW 217.31
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
8097540 10.1021/jm00060a004 Rattus norvegicus 2
8097540 10.1021/jm00060a004 Unchecked 1
8097540 10.1021/jm00060a004 Bos taurus 1

Data from ChEMBL 36 via Core Engine