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Compound Detail

CHEMBL295830

CYCLOLEUCINE
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NC1(C(=O)O)CCCC1

Basic Information

ChEMBL ID CHEMBL295830
Name CYCLOLEUCINE
Phase Preclinical
Structure Type MOL
InChI Key NILQLFBWTXNUOE-UHFFFAOYSA-N
0
Targets
6
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

129.2
MW (Da)
0.34
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H11NO2
MW 129.16
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness 0.83

Activity Summary

IC50 4 meas.
Ki 2 meas.

Literature References

PubMed DOI Target Context # Activities
69024 10.1021/jm00216a001 Trypanosoma cruzi 3
35796517 10.1021/acs.jmedchem.2c00395 S-adenosylmethionine synthase isoform type-2 2
35796517 10.1021/acs.jmedchem.2c00395 Unchecked 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
814238 10.1021/jm00224a031 Jensen sarcoma 2
137981 10.1021/jm00212a010 Plasmodium berghei 2
137981 10.1021/jm00212a010 Enterococcus faecium 2
137981 10.1021/jm00212a010 Lacticaseibacillus casei 2
137981 10.1021/jm00212a010 NON-PROTEIN TARGET 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
9873403 10.1016/s0960-894x(98)00267-4 S-adenosylmethionine synthase isoform type-1 1
137981 10.1021/jm00212a010 Escherichia coli 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
19642674 10.1021/jm900363q Glutamate NMDA receptor 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
12873507 10.1016/s0960-894x(03)00535-3 Unchecked 1
6094812 10.1021/jm00378a021 ADMET 1

Data from ChEMBL 36 via Core Engine