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Compound Detail

CHEMBL1733176

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Cc1ccc(C)c(-n2[nH]c3ccccc3c2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1733176
Phase Preclinical
Structure Type MOL
InChI Key WBELOCIENAAVCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
37.8
PSA (Ų)
0.70
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 C15H14N2O
MW 238.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.10

Literature References

PubMed DOI Target Context # Activities
21539312 10.1021/jm101401a Mannose-6-phosphate isomerase 1

Data from ChEMBL 36 via Core Engine