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Compound Detail

CHEMBL497483

TUMONOIC ACID F
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CCCCCCCCC(C)[C@H](OC(C)=O)[C@H](C)C(=O)N1CCC[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL497483
Name TUMONOIC ACID F
Phase Preclinical
Structure Type MOL
InChI Key PFYSYVJVRRSPAP-PVRLSMEHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
4.02
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H37NO5
MW 383.53
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness 0.88

Activity Summary

IC50 1 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vibrio harveyi
CHEMBL613174
 IC50 4.21 4.21 62000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vibrio harveyi IC50 = 62000.0 nM 4.21 Inhibition of bioluminescence in wild type Vibrio harveyi BB120 by quorum sensin... 18698821

Literature References

PubMed DOI Target Context # Activities
18698821 10.1021/np800088a Plasmodium falciparum 1
18698821 10.1021/np800088a Vibrio harveyi 1
21751786 10.1021/np200236c Unchecked 1

Data from ChEMBL 36 via Core Engine