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Compound Detail

CHEMBL3309927

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CN(C)c1ccc(C#Cc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3309927
Phase Preclinical
Structure Type MOL
InChI Key WBLCYYFORJVCJV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

221.3
MW (Da)
3.15
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N
MW 221.30
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
24930834 10.1016/j.bmcl.2014.04.113 LS174T 2
24930834 10.1016/j.bmcl.2014.04.113 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine