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Compound Detail

CHEMBL508767

CYCLONELLIN
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C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O

Basic Information

ChEMBL ID CHEMBL508767
Name CYCLONELLIN
Phase Preclinical
Structure Type BOTH
InChI Key QJCLMDOTVMDUCX-ACOBSCFGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

963.1
MW (Da)
-3.67
ALogP
13
HBA
13
HBD
380.9
PSA (Ų)
0.06
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C45H62N12O12
MW 963.06
Aromatic Rings 2
Heavy Atoms 69
NP-Likeness 0.85

Literature References

Data from ChEMBL 36 via Core Engine