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Compound Detail

CHEMBL327101

MERIDINE
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O=C1c2nccc(O)c2-c2nc3ccccc3c3ccnc1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL327101
Name MERIDINE
Phase Preclinical
Structure Type MOL
InChI Key QSJNAFJALFWFMT-UHFFFAOYSA-N
12
Targets
13
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
3.10
ALogP
5
HBA
1
HBD
76.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H9N3O2
MW 299.29
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness 0.95

Activity Summary

IC50 13 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 7.3 6.5 50.0 2
T47D
CHEMBL614361
 IC50 7.16 7.16 70.0 1
LoVo
CHEMBL614721
 IC50 7.16 7.16 70.0 1
A549
CHEMBL392
 IC50 7.1 7.1 80.0 1
MCF7
CHEMBL387
 IC50 7.05 7.05 90.0 1
U-87 MG
CHEMBL614247
 IC50 7.0 7.0 100.0 1
U373 MG
CHEMBL615024
 IC50 7.0 7.0 100.0 1
HCT-15
CHEMBL612263
 IC50 6.7 6.7 200.0 1
A-427
CHEMBL614515
 IC50 6.7 6.7 200.0 1
PC-3
CHEMBL390
 IC50 6.3 6.3 500.0 1
J82
CHEMBL614586
 IC50 5.09 5.09 8200.0 1
Telomerase reverse transcriptase
CHEMBL2916
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 50.0 nM 7.3 In vitro inhibition of T24 (human bladder cancer) cell growth. 11563926
LoVo IC50 = 70.0 nM 7.16 In vitro inhibition of LoVo (human colon cancer) cell growth. 11563926
T47D IC50 = 70.0 nM 7.16 In vitro inhibition of T-47D (human breast cancer) cell growth. 11563926
A549 IC50 = 80.0 nM 7.1 In vitro inhibition of A549 (human lung cancer) cell growth. 11563926
MCF7 IC50 = 90.0 nM 7.05 In vitro inhibition of MCF-7 (human breast cancer) cell growth. 11563926
U-87 MG IC50 = 100.0 nM 7.0 In vitro inhibition of U-87 MG (human glioblastoma) cell growth. 11563926
U373 MG IC50 = 100.0 nM 7.0 In vitro inhibition of U-373 MG (human glioblastoma) cell growth. 11563926
HCT-15 IC50 = 200.0 nM 6.7 In vitro inhibition of HCT-15 (human colon cancer) cell growth. 11563926
A-427 IC50 = 200.0 nM 6.7 In vitro inhibition of A-427 (human lung cancer) cell growth. 11563926
PC-3 IC50 = 500.0 nM 6.3 In vitro inhibition of PC-3 (human prostate cancer) cell growth. 11563926
Unchecked IC50 = 2000.0 nM 5.7 In vitro inhibition of A172 (human glioblastoma) cell growth. 11563926
J82 IC50 = 8200.0 nM 5.09 In vitro inhibition of J82 (human bladder cancer) cell growth. 11563926
Telomerase reverse transcriptase IC50 = 11000.0 nM 4.96 Inhibition of telomerase (unknown origin) by TRAP assay 23974014

Literature References

PubMed DOI Target Context # Activities
1479383 10.1021/np50089a016 Candida albicans 21
1479383 10.1021/np50089a016 Cryptococcus neoformans 2
11563926 10.1021/jm0108496 Unchecked 2
11563926 10.1021/jm0108496 PC-3 1
- 10.1039/C0MD00241K Telomerase reverse transcriptase 1
1479383 10.1021/np50089a016 Pseudomonas aeruginosa 1
1479383 10.1021/np50089a016 Escherichia coli 1
8350092 10.1021/np50096a015 Unchecked 1
8350092 10.1021/np50096a015 NON-PROTEIN TARGET 1
8350092 10.1021/np50096a015 A549 1
8350092 10.1021/np50096a015 P388 1
8350092 10.1021/np50096a015 HT-29 1
11563926 10.1021/jm0108496 U-87 MG 1
11563926 10.1021/jm0108496 A-427 1
11563926 10.1021/jm0108496 A549 1
11563926 10.1021/jm0108496 T47D 1
11563926 10.1021/jm0108496 MCF7 1
11563926 10.1021/jm0108496 LoVo 1
11563926 10.1021/jm0108496 HCT-15 1
11563926 10.1021/jm0108496 J82 1

Data from ChEMBL 36 via Core Engine