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Compound Detail

CHEMBL540534

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Cl.NC[C@]1(CC(=O)O)CC[C@@H](c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL540534
Phase Preclinical
Structure Type MOL
InChI Key HPFIXBJRRCJEAT-IOJSEOPQSA-N
Parent Compound CHEMBL1190264
Active Moiety CHEMBL1190264
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.76
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.86
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 C15H22ClNO2
MW 283.80
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.43

Literature References

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

Data from ChEMBL 36 via Core Engine