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Compound Detail

CHEMBL553883

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C#CC(C)(C)OC(=O)C1CN=CNC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL553883
Phase Preclinical
Structure Type MOL
InChI Key WICQIEOJCXUWAL-UHFFFAOYSA-N
Parent Compound CHEMBL1195122
Active Moiety CHEMBL1195122
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

194.2
MW (Da)
0.19
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H15ClN2O2
MW 230.69
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
9111297 10.1021/jm960467d Unchecked 1

Data from ChEMBL 36 via Core Engine