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Compound Detail

CHEMBL545408

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Cl.O=C(O)CC1CNCCO1

Basic Information

ChEMBL ID CHEMBL545408
Phase Preclinical
Structure Type MOL
InChI Key ZLGFQSPNFIEARF-UHFFFAOYSA-N
Parent Compound CHEMBL1193922
Active Moiety CHEMBL1193922
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

145.2
MW (Da)
-0.55
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.55
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 C6H12ClNO3
MW 181.62
Aromatic Rings 0
Heavy Atoms 10
NP-Likeness 0.58

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00267-3 Unchecked 1
- 10.1016/S0960-894X(96)00267-3 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine