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Compound Detail

CHEMBL2349385

(2-PHENYL-1H-INDOL-3-YL)METHANOL
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OCc1c(-c2ccccc2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2349385
Name (2-PHENYL-1H-INDOL-3-YL)METHANOL
Phase Preclinical
Structure Type MOL
InChI Key WWOMARKUBVSTBK-UHFFFAOYSA-N
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
3.33
ALogP
1
HBA
2
HBD
36.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13NO
MW 223.28
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.10

Activity Summary

EC50 5 meas. best 5.0
IC50 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.0 3.9225 10000.0 4
U-251
CHEMBL615022
 EC50 3.89 3.89 130000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 10000.0 nM 5.0 Cytotoxicity against human IN1528 cells assessed as decrease in cell proliferati... 28256372
Unchecked EC50 = 30000.0 nM 4.52 Cytotoxicity against human U87 cells assessed as decrease in cell proliferation ... 28256372
U-251 EC50 = 130000.0 nM 3.89 Cytotoxicity against human U251 cells assessed as decrease in cell proliferation... 28256372
Unchecked EC50 = 480000.0 nM 3.32 Cytotoxicity against human IN1472 cells assessed as decrease in cell proliferati... 28256372
Unchecked EC50 = 1430000.0 nM 2.85 Cytotoxicity against human IN1760 cells assessed as decrease in cell proliferati... 28256372

Literature References

PubMed DOI Target Context # Activities
28256372 10.1016/j.bmcl.2017.02.033 Unchecked 4
23419325 10.1016/j.bmc.2013.01.032 NON-PROTEIN TARGET 2
23419325 10.1016/j.bmc.2013.01.032 U-87 MG 1
23419325 10.1016/j.bmc.2013.01.032 Unchecked 1
28256372 10.1016/j.bmcl.2017.02.033 U-251 1

Data from ChEMBL 36 via Core Engine