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Compound Detail

CHEMBL383812

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O=C1/C(=C/c2ccccc2)Oc2cc(O)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383812
Phase Preclinical
Structure Type MOL
InChI Key KDGIFQNPGMXJCY-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
3.01
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.78
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 C15H10O3
MW 238.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.24

Literature References

PubMed DOI Target Context # Activities
20392544 10.1016/j.ejmech.2010.03.023 NAD(P)H dehydrogenase [quinone] 1 2
20392544 10.1016/j.ejmech.2010.03.023 ADMET 2
24813880 10.1016/j.ejmech.2014.04.076 Unchecked 2
- 10.1039/C5MD00164A Neutrophil elastase 2
16392817 10.1021/jm050715i Tyrosinase 1
24813880 10.1016/j.ejmech.2014.04.076 Plasmodium falciparum 1
24813880 10.1016/j.ejmech.2014.04.076 HEK-293T 1
- 10.1039/C5MD00164A HEK293 1
28651984 10.1016/j.bmcl.2017.06.040 Unchecked 1
38052378 10.1016/j.bmcl.2023.129574 Pancreatic triacylglycerol lipase 1

Data from ChEMBL 36 via Core Engine