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Compound Detail

CHEMBL1181881

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O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2ccccc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1181881
Phase Preclinical
Structure Type MOL
InChI Key LEUSUHAAYXEGAO-OAHLLOKOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
3.24
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N2OS
MW 312.44
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine