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Compound Detail

CHEMBL1505471

LOMOFUNGIN
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COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1505471
Name LOMOFUNGIN
Phase Preclinical
Structure Type MOL
InChI Key CRANETCJDDEINO-UHFFFAOYSA-N

Known Names

Lomofungin NSC-106995 NSC-156939 U-24,792 U-24792
5
Targets
9
Activities
3
Assay Types
0
PK Parameters
2
Publications
5
Known Names

Molecular Properties

314.2
MW (Da)
1.50
ALogP
8
HBA
3
HBD
129.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -fungin
USAN Year 1968

Extended Properties

Molecular Formula C15H10N2O6
MW 314.25
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.71

Activity Summary

Ki 4 meas. best 5.17
IC50 3 meas. best 5.69
EC50 2 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity protein phosphatase 3
CHEMBL2635
 IC50 5.69 5.69 2060.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
 IC50 5.42 5.42 3760.1 1
Botulinum neurotoxin type A
CHEMBL5192
 Ki 5.17 5.0275 6700.0 4
Unchecked
CHEMBL612545
 EC50 4.66 4.66 21856.0 1
Dual specificity protein phosphatase 6
CHEMBL5511
 IC50 4.32 4.32 48200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity protein phosphatase 3 IC50 = 2060.0 nM 5.69 PUBCHEM_BIOASSAY: uHTS absorbance assay for the identification of compounds that... -
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 3760.14 nM 5.42 PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... -
Botulinum neurotoxin type A Ki = 6700.0 nM 5.17 Non-competitive inhibition of Clostridium botulinum neurotoxin serotype A light ... 20959871
Botulinum neurotoxin type A Ki = 6700.0 nM 5.17 Uncompetitive inhibition of Clostridium botulinum truncated BoNT/A light chain (... 23565325
Botulinum neurotoxin type A Ki = 6700.0 nM 5.17 Competitive inhibition of Clostridium botulinum truncated BoNT/A light chain (1-... 23565325
Unchecked EC50 = 21856.0 nM 4.66 PUBCHEM_BIOASSAY: Screen for small molecule probes relevant to Friedreichs ataxi... -
Botulinum neurotoxin type A Ki = 25000.0 nM 4.6 Competitive inhibition of Clostridium botulinum full length BoNT/A light chain (... 23565325
Dual specificity protein phosphatase 6 IC50 = 48200.0 nM 4.32 PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... -

Literature References

PubMed DOI Target Context # Activities
20959871 10.1021/ml100074s Botulinum neurotoxin type A 7
23565325 10.1021/ml300428s Botulinum neurotoxin type A 4

Data from ChEMBL 36 via Core Engine