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Compound Detail

CHEMBL448558

LANTALUCRATIN B
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C=C(C)C1CC2=C(O1)c1cccc(O)c1C(=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL448558
Name LANTALUCRATIN B
Phase Preclinical
Structure Type MOL
InChI Key WKLGYQWVPPIRFC-UHFFFAOYSA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
2.23
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.62
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 C15H12O4
MW 256.26
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 2.33

Activity Summary

IC50 10 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MCF7
CHEMBL387
 IC50 6.0 6.0 1000.0 1
KB
CHEMBL398
 IC50 6.0 5.7733 1000.0 3
1A9
CHEMBL614075
 IC50 5.82 5.75 1500.0 2
A549
CHEMBL392
 IC50 5.75 5.75 1800.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.72 5.67 1900.0 2
HOS
CHEMBL614736
 IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
KB IC50 = 1000.0 nM 6.0 Cytotoxicity against camptothecin-resistant human KB cells after 3 days by SRB a... 15217280
MCF7 IC50 = 1000.0 nM 6.0 Cytotoxicity against human MCF7 cells after 3 days by SRB assay 15217280
1A9 IC50 = 1500.0 nM 5.82 Cytotoxicity against human 1A9 cells after 3 days by SRB assay 15217280
A549 IC50 = 1800.0 nM 5.75 Cytotoxicity against human A549 cells after 3 days by SRB assay 15217280
NON-PROTEIN TARGET IC50 = 1900.0 nM 5.72 Cytotoxicity against human U87MG cells after 3 days by SRB assay 15217280
KB IC50 = 2100.0 nM 5.68 Cytotoxicity against etoposide-resistant human KB cells after 3 days by SRB assa... 15217280
1A9 IC50 = 2100.0 nM 5.68 Cytotoxicity against paclitaxel-resistant human 1A9 cells after 3 days by SRB as... 15217280
KB IC50 = 2300.0 nM 5.64 Cytotoxicity against human KB cells after 3 days by SRB assay 15217280
NON-PROTEIN TARGET IC50 = 2400.0 nM 5.62 Cytotoxicity against vincristine-resistant human KBVIN cells after 3 days by SRB... 15217280
HOS IC50 = 2500.0 nM 5.6 Cytotoxicity against human HOS cells after 3 days by SRB assay 15217280

Literature References

PubMed DOI Target Context # Activities
15217280 10.1021/np030450f KB 3
15217280 10.1021/np030450f NON-PROTEIN TARGET 2
15217280 10.1021/np030450f 1A9 2
15217280 10.1021/np030450f CAKI-1 2
15217280 10.1021/np030450f A549 1
15217280 10.1021/np030450f MCF7 1
15217280 10.1021/np030450f HOS 1
24631897 10.1016/j.ejmech.2014.02.057 NON-PROTEIN TARGET 1
24631897 10.1016/j.ejmech.2014.02.057 HeLa 1
24631897 10.1016/j.ejmech.2014.02.057 SW1573 1
24631897 10.1016/j.ejmech.2014.02.057 WiDr 1

Data from ChEMBL 36 via Core Engine