Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL373114

LAMELLARIN D
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1cc(-c2c3c4cc(OC)c(O)cc4oc(=O)c3n3ccc4cc(O)c(OC)cc4c23)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373114
Name LAMELLARIN D
Phase Preclinical
Structure Type MOL
InChI Key ATHLLZUXVPNPAW-UHFFFAOYSA-N
19
Targets
32
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

499.5
MW (Da)
5.16
ALogP
9
HBA
3
HBD
123.0
PSA (Ų)
0.28
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C28H21NO8
MW 499.48
Aromatic Rings 6
Heavy Atoms 37
NP-Likeness 0.93

Activity Summary

IC50 32 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
T47D
CHEMBL614361
 IC50 10.1 10.1 0.1 2
NCI-H460
CHEMBL396
 IC50 8.52 7.85 3.0 2
A549
CHEMBL392
 IC50 8.4 7.81 4.0 2
CCRF-CEM
CHEMBL382
 IC50 8.3 6.99 5.0 3
Vero
CHEMBL391
 IC50 7.98 7.98 10.5 1
HeLa
CHEMBL399
 IC50 7.98 7.6 10.5 2
XC
CHEMBL612812
 IC50 7.91 7.91 12.4 1
HepG2
CHEMBL395
 IC50 7.7 7.38 20.0 2
MDCK
CHEMBL614068
 IC50 7.65 7.65 22.5 1
HCT-116
CHEMBL394
 IC50 7.6 7.6 25.0 1
MDA-MB-231
CHEMBL400
 IC50 7.51 6.955 31.0 2
KB
CHEMBL398
 IC50 7.4 7.4 40.0 1
HL-60
CHEMBL383
 IC50 7.4 7.4 40.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.31 6.5125 49.0 4
P388
CHEMBL389
 IC50 7.0 6.935 100.0 2
HGC-27
CHEMBL1075463
 IC50 6.63 6.63 236.0 2
H69AR
CHEMBL5209893
 IC50 6.4 6.4 400.0 1
Unchecked
CHEMBL612545
 IC50 5.5 5.5 3200.0 1
MRC5
CHEMBL614181
 IC50 5.04 5.04 9200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
T47D IC50 = 0.08 nM 10.1 Cytotoxicity against human T47D cells assessed as reduction in cell viability af... 33276991
T47D IC50 = 0.08 nM 10.1 Cytotoxicity against human T47D cells after 48 hrs by XTT assay -
NCI-H460 IC50 = 3.0 nM 8.52 Antiproliferative activity against human NCI-H460 cells after 72 hrs by coulter ... 21783369
A549 IC50 = 4.0 nM 8.4 Cytotoxicity against human A549 cells assessed as reduction in cell viability in... 33582387
CCRF-CEM IC50 = 5.0 nM 8.3 Inhibitory concentration against CEM cell growth after incubation in liquid medi... 15916431
HeLa IC50 = 10.5 nM 7.98 Cytotoxicity against human HeLa cells assessed as inhibition of colony formation... 11975488
Vero IC50 = 10.5 nM 7.98 Cytotoxicity against african green monkey Vero cells assessed as inhibition of c... 11975488
XC IC50 = 12.4 nM 7.91 Cytotoxicity against rat XC cells assessed as inhibition of colony formation aft... 11975488
CCRF-CEM IC50 = 14.0 nM 7.85 Cytotoxicity against human CEM cells assessed as cell growth inhibition 35413618
HepG2 IC50 = 20.0 nM 7.7 Cytotoxicity against human HepG2 cells after 48 hrs by XTT assay -
MDCK IC50 = 22.5 nM 7.65 Cytotoxicity against MDCK cells assessed as inhibition of colony formation after... 11975488
HCT-116 IC50 = 25.0 nM 7.6 Cytotoxicity against human HCT-116 cells assessed as reduction in cell viability... 33582387
MDA-MB-231 IC50 = 31.0 nM 7.51 Cytotoxicity against human MDA-MB-231 cells assessed as reduction in cell viabil... 33582387
KB IC50 = 40.0 nM 7.4 Cytotoxicity against human KB cells after 48 hrs by XTT assay -
HL-60 IC50 = 40.0 nM 7.4 Cytotoxicity against human HL60 cells after 48 hrs by XTT assay -
NON-PROTEIN TARGET IC50 = 49.0 nM 7.31 Cytotoxicity against human MOLT3 cells after 48 hrs by XTT assay -
A549 IC50 = 60.0 nM 7.22 Cytotoxicity against human A549 cells after 48 hrs by XTT assay -
HeLa IC50 = 60.0 nM 7.22 Cytotoxicity against human HeLa cells after 48 hrs by XTT assay -
NCI-H460 IC50 = 66.0 nM 7.18 Antiproliferative activity against human NCI-H460 cells after 1 hr by coulter co... 21783369
NON-PROTEIN TARGET IC50 = 80.0 nM 7.1 Cytotoxicity against human HuCCa1 cells after 48 hrs by XTT assay -

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00003A NON-PROTEIN TARGET 3
21783369 10.1016/j.bmc.2011.06.056 NCI-H460 2
30553626 10.1016/j.bmc.2018.11.037 DNA topoisomerase I 2
33582387 10.1016/j.ejmech.2021.113226 MDA-MB-231 2
22305342 10.1016/j.ejmech.2012.01.040 DNA topoisomerase 1 2
15916431 10.1021/jm049060w CCRF-CEM 2
11975488 10.1021/np0104525 MDCK 2
11975488 10.1021/np0104525 Vero 1
11975488 10.1021/np0104525 XC 1
21783369 10.1016/j.bmc.2011.06.056 DNA topoisomerase 1 1
11975488 10.1021/np0104525 HeLa 1
22305342 10.1016/j.ejmech.2012.01.040 CCRF-CEM 1
16722644 10.1021/jm0602458 MDA-MB-231 1
23981088 10.1021/jm400719y Unchecked 1
- 10.1039/C1MD00003A T47D 1
38508119 10.1016/j.ejmech.2024.116294 No relevant target 1
- 10.1039/C1MD00003A KB 1
- 10.1039/C1MD00003A HL-60 1
16722644 10.1021/jm0602458 HT-29 1
16722644 10.1021/jm0602458 A549 1

Data from ChEMBL 36 via Core Engine