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Compound Detail

CHEMBL470256

LANTALUCRATIN C
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C=C(C)C1CC2=C(O1)c1ccc(O)cc1C(=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL470256
Name LANTALUCRATIN C
Phase Preclinical
Structure Type MOL
InChI Key RFNIZIGETMKYEI-UHFFFAOYSA-N
6
Targets
10
Activities
1
Assay Types
0
PK Parameters
6
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 2.20

Activity Summary

IC50 10 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HOS
CHEMBL614736
 IC50 5.33 5.33 4700.0 1
MCF7
CHEMBL387
 IC50 5.31 5.31 4900.0 1
KB
CHEMBL398
 IC50 5.28 5.2267 5200.0 3
A549
CHEMBL392
 IC50 5.22 5.22 6000.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.2 5.17 6300.0 2
1A9
CHEMBL614075
 IC50 5.19 5.11 6500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HOS IC50 = 4700.0 nM 5.33 Cytotoxicity against human HOS cells after 3 days by SRB assay 15217280
MCF7 IC50 = 4900.0 nM 5.31 Cytotoxicity against human MCF7 cells after 3 days by SRB assay 15217280
KB IC50 = 5200.0 nM 5.28 Cytotoxicity against camptothecin-resistant human KB cells after 3 days by SRB a... 15217280
KB IC50 = 5800.0 nM 5.24 Cytotoxicity against etoposide-resistant human KB cells after 3 days by SRB assa... 15217280
A549 IC50 = 6000.0 nM 5.22 Cytotoxicity against human A549 cells after 3 days by SRB assay 15217280
NON-PROTEIN TARGET IC50 = 6300.0 nM 5.2 Cytotoxicity against vincristine-resistant human KBVIN cells after 3 days by SRB... 15217280
1A9 IC50 = 6500.0 nM 5.19 Cytotoxicity against paclitaxel-resistant human 1A9 cells after 3 days by SRB as... 15217280
KB IC50 = 6900.0 nM 5.16 Cytotoxicity against human KB cells after 3 days by SRB assay 15217280
NON-PROTEIN TARGET IC50 = 7300.0 nM 5.14 Cytotoxicity against human U87MG cells after 3 days by SRB assay 15217280
1A9 IC50 = 9400.0 nM 5.03 Cytotoxicity against human 1A9 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 A549 1
15217280 10.1021/np030450f MCF7 1
15217280 10.1021/np030450f HOS 1

Data from ChEMBL 36 via Core Engine