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Compound Detail

CHEMBL3215976

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COC1CCCCC1(CN)CC(=O)O.Cl.Cl

Basic Information

ChEMBL ID CHEMBL3215976
Phase Preclinical
Structure Type MOL
InChI Key PMOONEJVCRSZCJ-UHFFFAOYSA-N
Parent Compound CHEMBL1195051
Active Moiety CHEMBL1195051
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

201.3
MW (Da)
1.00
ALogP
3
HBA
2
HBD
72.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H21Cl2NO3
MW 274.19
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
9599234 10.1021/jm970649n Unchecked 1

Data from ChEMBL 36 via Core Engine