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Compound Detail

CHEMBL542655

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Cl.O=C(O)C1CCNCC12CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL542655
Phase Preclinical
Structure Type MOL
InChI Key DYRZFPGBXANACC-UHFFFAOYSA-N
Parent Compound CHEMBL1191543
Active Moiety CHEMBL1191543
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
1.63
ALogP
2
HBA
2
HBD
49.3
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 C11H20ClNO2
MW 233.74
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness 1.17

Literature References

PubMed DOI Target Context # Activities
10476863 10.1016/s0960-894x(99)00383-2 Unchecked 1

Data from ChEMBL 36 via Core Engine