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Compound Detail

CHEMBL517203

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O=C(O)c1cc(C#CC2(O)CN3CCC2CC3)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517203
Phase Preclinical
Structure Type MOL
InChI Key NAILHADGIVNWIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
0.90
ALogP
4
HBA
3
HBD
81.0
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 C16H17NO4
MW 287.31
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness 0.61

Literature References

PubMed DOI Target Context # Activities
17709461 10.1128/aac.00205-07 Leishmania amazonensis 4
17709461 10.1128/aac.00205-07 Farnesyltransferase, putative 1
17709461 10.1128/aac.00205-07 Squalene synthase 1

Data from ChEMBL 36 via Core Engine