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Compound Detail

CHEMBL16756

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Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL16756
Phase Preclinical
Structure Type MOL
InChI Key VXRLUFPGDHFNHT-UHFFFAOYSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
3.92
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N2+
MW 261.35
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness 0.76

Literature References

PubMed DOI Target Context # Activities
7265115 10.1021/jm00135a010 Mus musculus 3
7265115 10.1021/jm00135a010 L1210 2
6471070 10.1021/jm00375a013 Mus musculus 2
3806584 10.1021/jm00157a040 L1210 1
3806584 10.1021/jm00157a040 HCT-8 1
6413693 10.1021/jm00364a015 L1210 1
6471070 10.1021/jm00375a013 Nucleic Acid 1
6471070 10.1021/jm00375a013 L1210 1

Data from ChEMBL 36 via Core Engine