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

CHEMBL276625

PHENSTATIN
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
COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL276625
Name PHENSTATIN
Phase Preclinical
Structure Type MOL
InChI Key HSLFWBPRHXGUAN-UHFFFAOYSA-N
31
Targets
85
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

318.3
MW (Da)
2.66
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18O6
MW 318.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.33

Activity Summary

IC50 85 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
P388
CHEMBL389
 IC50 8.0 8.0 10.0 1
MV4-11
CHEMBL613835
 IC50 7.91 7.91 12.3 1
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.82 7.7333 15.0 3
HCT-116
CHEMBL394
 IC50 7.73 7.3267 18.6 3
MCF7
CHEMBL387
 IC50 7.72 6.8925 19.0 4
K562
CHEMBL385
 IC50 7.7 7.52 20.0 3
HEK293
CHEMBL614818
 IC50 7.64 7.64 23.0 1
MDA-MB-231
CHEMBL400
 IC50 7.55 7.35 28.0 3
HL-60
CHEMBL383
 IC50 7.52 6.9267 30.0 3
HT-29
CHEMBL384
 IC50 7.52 6.3175 30.0 4
KB
CHEMBL398
 IC50 7.52 7.1914 30.0 7
HeLa
CHEMBL399
 IC50 7.52 7.305 30.0 4
MES-SA/Dx5
CHEMBL613827
 IC50 7.5 6.955 32.0 2
DU-145
CHEMBL613508
 IC50 7.47 7.47 34.0 1
Molecular identity unknown
CHEMBL612546
 IC50 7.46 6.235 35.0 2
CPT30 cell line
CHEMBL614470
 IC50 7.43 7.43 37.2 1
RKO
CHEMBL614879
 IC50 7.14 7.14 72.0 1
DLD-1
CHEMBL614285
 IC50 7.08 7.08 83.0 1
HONE1 cell line
CHEMBL614830
 IC50 7.06 6.96 87.0 2
HepG2
CHEMBL395
 IC50 6.97 6.97 108.0 1
A2780
CHEMBL614004
 IC50 6.96 6.94 110.0 2
LoVo
CHEMBL614721
 IC50 6.91 6.91 122.0 1
Unchecked
CHEMBL612545
 IC50 6.8 5.6278 160.0 18
TSGH
CHEMBL615018
 IC50 6.77 6.77 170.0 1
A549
CHEMBL392
 IC50 6.75 6.2933 179.0 6
HCT-8
CHEMBL613510
 IC50 6.44 6.44 360.0 1
Tubulin
CHEMBL2094134
 IC50 6.4 6.2 400.0 2
A2780cisR
CHEMBL614023
 IC50 5.54 5.54 2850.0 1
Tubulin
CHEMBL2095182
 IC50 5.53 5.5067 2940.0 3
HA22T cell line
CHEMBL614807
 IC50 5.43 5.43 3706.0 1
COLO 205
CHEMBL614561
 IC50 5.31 5.31 4860.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
P388 IC50 = 10.0 nM 8.0 Concentration required for 50% inhibition of P388 murine leukemia cell growth in... 11140732
MV4-11 IC50 = 12.35 nM 7.91 Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... 37544183
NON-PROTEIN TARGET IC50 = 15.0 nM 7.82 Cytotoxicity against human KB-3-1 cells after 72 hrs by MTT assay 23932339
HCT-116 IC50 = 18.6 nM 7.73 Antiproliferative activity against human HCT-116 cells assessed as inhibition of... 37544183
MCF7 IC50 = 19.0 nM 7.72 Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay 23932339
K562 IC50 = 20.0 nM 7.7 In vitro inhibitory concentration against human chronic myelogenous leukemia K56... 12852768
NON-PROTEIN TARGET IC50 = 20.0 nM 7.7 Cytotoxicity against human H460 cells after 72 hrs by MTT assay 23932339
NON-PROTEIN TARGET IC50 = 21.0 nM 7.68 Cytotoxicity against human H1299 cells after 72 hrs 19530698
HEK293 IC50 = 23.0 nM 7.64 Cytotoxicity against human HEK293 cells after 72 hrs by MTT assay 23932339
MDA-MB-231 IC50 = 28.0 nM 7.55 Cytotoxicity against human MDA-MB-231 cells after 72 hrs 19530698
HeLa IC50 = 30.0 nM 7.52 Cytotoxicity against human HeLa cells after 72 hrs by XTT assay 19647439
HeLa IC50 = 30.0 nM 7.52 Cytotoxicity against human HeLa cells after 72 hrs by XTT method 18502133
KB IC50 = 30.0 nM 7.52 In vitro cytotoxic activity against human KB cell line of epidermoid carcinoma 15139768
KB IC50 = 30.0 nM 7.52 In vitro cytotoxic activity against human KB-VIN10 cell line overexpressing P-gp... 15139768
HL-60 IC50 = 30.0 nM 7.52 Cytotoxicity against human HL60 cells after 72 hrs by XTT assay 19939521
HeLa IC50 = 30.0 nM 7.52 Cytotoxicity against human HeLa cells after 72 hrs by XTT assay 19939521
HT-29 IC50 = 30.0 nM 7.52 Cytotoxicity against human HT29 cells after 72 hrs by XTT method 18502133
HL-60 IC50 = 31.0 nM 7.51 Cytotoxicity against human HL60 cells after 72 hrs by XTT assay 19647439
MES-SA/Dx5 IC50 = 32.0 nM 7.5 Cell growth inhibition against,MES-SA/DX5 human uterine cancer cells using MTS a... 12036364
HCT-116 IC50 = 33.0 nM 7.48 Cytotoxicity against human HCT116 cells after 72 hrs 19530698

Literature References

PubMed DOI Target Context # Activities
27707624 10.1016/j.bmc.2016.09.063 NON-PROTEIN TARGET 53
12467626 10.1016/s0960-894x(02)00850-8 KB 3-1 12
35282680 10.1021/acs.jmedchem.1c01775 A549 9
12467626 10.1016/s0960-894x(02)00850-8 KB 5
35065411 10.1016/j.ejmech.2022.114112 Unchecked 4
27073050 10.1016/j.bmc.2016.04.001 NON-PROTEIN TARGET 4
12036364 10.1021/jm010365+ Unchecked 3
12036362 10.1021/jm010119y Tubulin 3
19135763 10.1016/j.ejmech.2008.12.018 Unchecked 3
21345676 10.1016/j.bmcl.2011.01.124 Paracentrotus lividus 3
27956038 10.1016/j.bmc.2016.11.041 Unchecked 3
12036364 10.1021/jm010365+ MES-SA/Dx5 2
21636180 10.1016/j.ejmech.2011.05.021 Unchecked 2
25462232 10.1016/j.ejmech.2014.10.041 Unchecked 2
27073050 10.1016/j.bmc.2016.04.001 Unchecked 2
19939521 10.1016/j.ejmech.2009.10.047 Unchecked 2
23200248 10.1016/j.bmcl.2012.10.135 Unchecked 2
12036364 10.1021/jm010365+ Molecular identity unknown 2
9572894 10.1021/jm970644q Unchecked 2
23932339 10.1016/j.bmcl.2013.07.025 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine