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Compound Detail

CHEMBL538255

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Cl.O=C(O)[C@@H]1CNCC12CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538255
Phase Preclinical
Structure Type MOL
InChI Key RNFMTDMUQUUXFS-QRPNPIFTSA-N
Parent Compound CHEMBL1189195
Active Moiety CHEMBL1189195
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

183.2
MW (Da)
1.24
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.64
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 C10H18ClNO2
MW 219.71
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 1.31

Literature References

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

Data from ChEMBL 36 via Core Engine