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Compound Detail

CHEMBL520550

CYANOCYCLINE A
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COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CO)N1[C@H]3[C@H]4[C@@H](C[C@H]([C@H]1C#N)N4C)[C@@H]1OCCN1[C@@H]23

Basic Information

ChEMBL ID CHEMBL520550
Name CYANOCYCLINE A
Phase Preclinical
Structure Type MOL
InChI Key KDWXMIJUXUSUMZ-NXUSUMRGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

426.5
MW (Da)
-0.96
ALogP
9
HBA
1
HBD
106.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H26N4O5
MW 426.47
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 2.46

Literature References

PubMed DOI Target Context # Activities
8229009 10.1021/np50098a006 Escherichia coli 1
8229009 10.1021/np50098a006 Proteus vulgaris 1
8229009 10.1021/np50098a006 Klebsiella pneumoniae 1
8229009 10.1021/np50098a006 Serratia marcescens 1
8229009 10.1021/np50098a006 Bacillus subtilis 1
8229009 10.1021/np50098a006 Micrococcus luteus 1
8229009 10.1021/np50098a006 Enterococcus faecalis 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1

Data from ChEMBL 36 via Core Engine