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Compound Detail

CHEMBL3407590

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C#CCN(C)Cc1cc2cc(OCc3ccc(OC(=O)N(C)C)c4ncccc34)ccc2n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3407590
Phase Preclinical
Structure Type MOL
InChI Key VMPZMPSWNNVJNP-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
4.43
ALogP
6
HBA
0
HBD
59.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O3
MW 456.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.09

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25418133 10.1021/jm501501a Amine oxidase [flavin-containing] B 1
25418133 10.1021/jm501501a Amine oxidase [flavin-containing] A 1
25418133 10.1021/jm501501a Acetylcholinesterase 1
25418133 10.1021/jm501501a Cholinesterase 1
- 10.6019/CHEMBL4513135 Candida albicans 1
- 10.6019/CHEMBL4513135 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513135 Escherichia coli 1
- 10.6019/CHEMBL4513135 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513135 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513135 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513135 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine