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Compound Detail

CHEMBL535852

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COc1ccc2c(c1)CCC(N)C2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535852
Phase Preclinical
Structure Type MOL
InChI Key VANKCRQVOCWUPP-UHFFFAOYSA-N
Parent Compound CHEMBL99215
Active Moiety CHEMBL99215
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
1.51
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.71
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 C11H16ClNO
MW 213.71
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.30

Literature References

PubMed DOI Target Context # Activities
8411005 10.1021/jm00072a008 Melatonin receptor 1
17900179 10.1021/jm0701167 Candida albicans 1
17900179 10.1021/jm0701167 Candida parapsilosis 1
17900179 10.1021/jm0701167 Cryptococcus neoformans 1
17900179 10.1021/jm0701167 Trichophyton rubrum 1
17900179 10.1021/jm0701167 Fonsecaea compacta 1
17900179 10.1021/jm0701167 Aspergillus fumigatus 1
17900179 10.1021/jm0701167 Microsporum 1

Data from ChEMBL 36 via Core Engine