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

CHEMBL1078389

ARNAMIAL
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(O)c(C(=O)O[C@@H]2C[C@@]3(C)C2=C(C=O)[C@@H](O)[C@@H]2CC(C)(C)C[C@@H]23)c(C)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1078389
Name ARNAMIAL
Phase Preclinical
Structure Type MOL
InChI Key KWJJPEZBNLGOFB-RNNQDMPLSA-N
9
Targets
11
Activities
2
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

448.9
MW (Da)
4.22
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.53
QED
0
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 C24H29ClO6
MW 448.94
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness 2.17

Activity Summary

IC50 6 meas. best 5.41
EC50 5 meas. best 5.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 EC50 5.64 5.64 2300.0 1
THP-1
CHEMBL614245
 EC50 5.54 5.54 2900.0 1
MONO-MAC-6
CHEMBL2366062
 EC50 5.5 5.5 3200.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 5.42 5.42 3800.0 1
Jurkat
CHEMBL397
 IC50 5.41 5.41 3900.0 2
HeLa
CHEMBL399
 EC50 5.31 5.31 4900.0 1
CCRF-CEM
CHEMBL382
 IC50 5.05 5.05 8910.0 1
HCT-116
CHEMBL394
 IC50 4.97 4.97 10690.0 1
MCF7
CHEMBL387
 IC50 4.81 4.81 15400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 EC50 = 2300.0 nM 5.64 Cytotoxicity against human K562 cells after 24 hrs by MTT assay 25028062
THP-1 EC50 = 2900.0 nM 5.54 Cytotoxicity against human THP1 cells after 24 hrs by MTT assay 25028062
MONO-MAC-6 EC50 = 3200.0 nM 5.5 Cytotoxicity against human MONO-MAC-6 cells after 24 hrs by MTT assay 25028062
NON-PROTEIN TARGET EC50 = 3800.0 nM 5.42 Cytotoxicity against human primary monocytes after 24 hrs by MTT assay 25028062
Jurkat IC50 = 3930.0 nM 5.41 Cytotoxicity against human Jurkat T cells after 48 hrs by MTT assay 19795841
Jurkat IC50 = 3900.0 nM 5.41 Cytotoxicity against human Jurkat cells 21376582
HeLa EC50 = 4900.0 nM 5.31 Cytotoxicity against human HeLa cells after 24 hrs by MTT assay 25028062
CCRF-CEM IC50 = 8910.0 nM 5.05 Cytotoxicity against human CCRF-CEM cells after 48 hrs by MTT assay 19795841
HCT-116 IC50 = 10690.0 nM 4.97 Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay 19795841
MCF7 IC50 = 15400.0 nM 4.81 Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay 19795841
MCF7 IC50 = 15400.0 nM 4.81 Cytotoxicity against human MCF7 cells 21376582

Literature References

PubMed DOI Target Context # Activities
19795841 10.1021/np900314p Jurkat 3
19795841 10.1021/np900314p HCT-116 1
19795841 10.1021/np900314p MCF7 1
19795841 10.1021/np900314p CCRF-CEM 1
21376582 10.1016/j.bmcl.2011.02.026 MCF7 1
21376582 10.1016/j.bmcl.2011.02.026 Jurkat 1
21376582 10.1016/j.bmcl.2011.02.026 HeLa 1
21376582 10.1016/j.bmcl.2011.02.026 K562 1
25028062 10.1016/j.bmc.2014.06.032 HeLa 1
25028062 10.1016/j.bmc.2014.06.032 K562 1
25028062 10.1016/j.bmc.2014.06.032 NON-PROTEIN TARGET 1
25028062 10.1016/j.bmc.2014.06.032 MONO-MAC-6 1
25028062 10.1016/j.bmc.2014.06.032 THP-1 1

Data from ChEMBL 36 via Core Engine