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Compound Detail

CHEMBL108829

2-PHENYLPHENOL
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Oc1ccccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL108829
Name 2-PHENYLPHENOL
Phase Preclinical
Structure Type MOL
InChI Key LLEMOWNGBBNAJR-UHFFFAOYSA-N

Known Names

E231
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

170.2
MW (Da)
3.06
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H10O
MW 170.21
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.25

Activity Summary

EC50 3 meas.
IC50 1 meas.
Kd 1 meas. best 2.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bcl-2-like protein 1
CHEMBL4625
 Kd 2.57 2.57 2700000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Bcl-2-like protein 1 Kd = 2700000.0 nM 2.57 Binding affinity to 6xHis-tagged human Bcl-xL 20192224

Literature References

PubMed DOI Target Context # Activities
6802973 10.1021/jm00345a016 No relevant target 3
30568753 10.1039/C8MD00436F Unchecked 3
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 2B17 2
6802973 10.1021/jm00345a016 Bacillus subtilis 2
27259399 10.1016/j.bmc.2016.05.030 ADMET 2
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A8 2
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A10 2
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A4 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A7 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A3 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 2A1 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 2B15 1
20192224 10.1021/jm100009z Bcl-2-like protein 1 1
818381 10.1021/jm00227a004 Aspergillus niger 1
26492576 10.1021/acs.jmedchem.5b01114 Glycogen phosphorylase, muscle form 1
26599519 10.1021/acs.jmedchem.5b01616 Cytosolic purine 5'-nucleotidase 1
27259399 10.1016/j.bmc.2016.05.030 HEK293 1
27259399 10.1016/j.bmc.2016.05.030 HT-29 1
27259399 10.1016/j.bmc.2016.05.030 MCF7 1
30568753 10.1039/C8MD00436F U-87 MG 1

Data from ChEMBL 36 via Core Engine