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Compound Detail

CHEMBL51273

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C[N+](C)(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc12.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51273
Phase Preclinical
Structure Type MOL
InChI Key YYNFEEWRUNDMDC-UHFFFAOYSA-M
Parent Compound CHEMBL1178954
Active Moiety CHEMBL1178954
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.6
MW (Da)
5.95
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.31
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30BrN3
MW 464.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
10406648 10.1016/s0960-894x(99)00291-7 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine