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Compound Detail

CHEMBL202132

PARAHYDROXYBENZYL ALCOHOL
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Basic Information

ChEMBL ID CHEMBL202132
Name PARAHYDROXYBENZYL ALCOHOL
Phase Preclinical
Structure Type MOL
InChI Key BVJSUAQZOZWCKN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

124.1
MW (Da)
0.88
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.58
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 C7H8O2
MW 124.14
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 0.89

Activity Summary

Ki 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 6100.0 nM 5.21 Inhibition of Malassezia globosa recombinant beta-carbonic anhydrase preincubate... 28343756

Literature References

PubMed DOI Target Context # Activities
25913862 10.1016/j.bmc.2015.04.016 Tyrosinase 7
28343756 10.1016/j.bmc.2017.03.026 Unchecked 3
21500777 10.1021/np100900k B16-F10 2
35868003 10.1021/acs.jmedchem.2c00635 RAW264.7 2
17387015 10.1016/j.bmcl.2007.02.084 KB 1
16290145 10.1016/j.bmcl.2005.10.040 4-aminobutyrate aminotransferase, mitochondrial 1
35868003 10.1021/acs.jmedchem.2c00635 Cytochrome c oxidase subunit 2 1
35868003 10.1021/acs.jmedchem.2c00635 SGC-7901 1
35868003 10.1021/acs.jmedchem.2c00635 HGC-27 1
35868003 10.1021/acs.jmedchem.2c00635 HT-29 1
35868003 10.1021/acs.jmedchem.2c00635 RKO 1
35868003 10.1021/acs.jmedchem.2c00635 CT26.WT 1
32421343 10.1021/acs.jmedchem.0c00271 Unchecked 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
17387015 10.1016/j.bmcl.2007.02.084 NON-PROTEIN TARGET 1
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
21500777 10.1021/np100900k Tyrosinase 1
11809064 10.1021/np010319c Growth factor receptor-bound protein 2 1
11809064 10.1021/np010319c Adapter molecule crk 1
11809064 10.1021/np010319c Tyrosine-protein kinase ABL1 1

Data from ChEMBL 36 via Core Engine