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Compound Detail

CHEMBL1320139

HELIOMYCIN
🧪 Phase II
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🧪 Phase II
Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1320139
Name HELIOMYCIN
Phase Phase II
Structure Type MOL
InChI Key ABLACSIRCKEUOB-UHFFFAOYSA-N

Known Names

ANTIBIOTIC A-3733A GELIOMYCIN Heliomicina Heliomycin Heliomycine Itamycin Resistomycin X-340
9
Targets
27
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names

Molecular Properties

376.4
MW (Da)
3.66
ALogP
6
HBA
4
HBD
115.1
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -mycin

Extended Properties

Molecular Formula C22H16O6
MW 376.36
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness 1.51

Activity Summary

IC50 26 meas. best 7.24
EC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.24 6.5386 57.4 14
HCT-116
CHEMBL394
 IC50 7.0 6.76 100.0 2
HeLa
CHEMBL399
 IC50 7.0 7.0 100.0 2
Tick-borne encephalitis virus
CHEMBL4296604
 EC50 6.82 6.82 150.0 1
K562
CHEMBL385
 IC50 6.52 6.52 300.0 1
CCRF-CEM
CHEMBL382
 IC50 6.3 6.3 500.0 2
HMEC-1
CHEMBL4296433
 IC50 6.3 6.3 500.0 2
L1210
CHEMBL386
 IC50 6.16 6.16 700.0 2
T-24
CHEMBL614774
 IC50 4.58 4.58 26000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 57.35 nM 7.24 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 57.97 nM 7.24 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 70.89 nM 7.15 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 75.4 nM 7.12 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 77.47 nM 7.11 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 81.99 nM 7.09 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 100.5 nM 7.0 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
HCT-116 IC50 = 100.0 nM 7.0 Antiproliferative activity against p53 deficient human HCT116 cells after 72 hrs... 29137865
HeLa IC50 = 100.0 nM 7.0 Antiproliferative activity against human HeLa cells after 72 hrs by MTT assay 29137865
HeLa IC50 = 100.0 nM 7.0 Antiproliferative activity against human HeLa cells assessed as growth inhibitio... 33974416
Tick-borne encephalitis virus EC50 = 150.0 nM 6.82 Antiviral activity against TBEV Absettarov infected in porcine PEK cells assesse... 32199731
HCT-116 IC50 = 300.0 nM 6.52 Antiproliferative activity against human HCT116 cells after 72 hrs by MTT assay 29137865
K562 IC50 = 300.0 nM 6.52 Antiproliferative activity against human K562 cells after 72 hrs by MTT assay 29137865
Unchecked IC50 = 332.09 nM 6.48 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 400.0 nM 6.4 Antiproliferative activity against human K562/4 cells after 72 hrs by MTT assay 29137865
CCRF-CEM IC50 = 500.0 nM 6.3 Antiproliferative activity against human CEM cells after 72 hrs by MTT assay 29137865
HMEC-1 IC50 = 500.0 nM 6.3 Antiproliferative activity against HMEC1 cells after 72 hrs by MTT assay 29137865
CCRF-CEM IC50 = 500.0 nM 6.3 Antiproliferative activity against human CEM cells assessed as growth inhibition... 33974416
HMEC-1 IC50 = 500.0 nM 6.3 Cytotoxicity against human HMEC-1 cells assessed as growth inhibition after 72 h... 33974416
L1210 IC50 = 700.0 nM 6.16 Antiproliferative activity against mouse L1210 cells after 72 hrs by MTT assay 29137865

Literature References

PubMed DOI Target Context # Activities
29137865 10.1016/j.ejmech.2017.10.055 T-24 7
29137865 10.1016/j.ejmech.2017.10.055 Calf thymus DNA 4
23360202 10.1021/jf305210u Pyricularia grisea 4
32199731 10.1016/j.bmcl.2020.127100 Unchecked 2
29137865 10.1016/j.ejmech.2017.10.055 HCT-116 2
25537064 10.1021/np500767u NON-PROTEIN TARGET 2
25537064 10.1021/np500767u Pseudomonas aeruginosa 1
25537064 10.1021/np500767u No relevant target 1
25537064 10.1021/np500767u Acinetobacter 1
34967630 10.1021/acs.jnatprod.1c01084 Escherichia coli 1
25537064 10.1021/np500767u Yersinia pestis 1
25537064 10.1021/np500767u Xanthomonas axonopodis 1
25537064 10.1021/np500767u Enterococcus faecalis 1
25537064 10.1021/np500767u Escherichia coli 1
25537064 10.1021/np500767u Mycobacterium tuberculosis 1
23360202 10.1021/jf305210u Fusarium graminearum 1
23360202 10.1021/jf305210u Rhizoctonia solani 1
23360202 10.1021/jf305210u Dothiorella gregaria 1
23360202 10.1021/jf305210u Fusarium oxysporum f. sp. cucumerinum 1
23360202 10.1021/jf305210u Fusarium oxysporum f. sp. melongenae 1

Data from ChEMBL 36 via Core Engine