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Compound Detail

CHEMBL395770

PINNATIN
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COc1c2ccoc2cc2oc(-c3ccccc3)cc(=O)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL395770
Name PINNATIN
Phase Preclinical
Structure Type MOL
InChI Key QNWOJWLIFBMWKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
4.21
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H12O4
MW 292.29
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness 1.06

Literature References

PubMed DOI Target Context # Activities
17346862 10.1016/j.ejmech.2007.01.019 Rattus norvegicus 3
19515570 10.1016/j.bmc.2009.05.051 Unchecked 1
19515570 10.1016/j.bmc.2009.05.051 Radical scavenging activity 1
22280816 10.1016/j.ejmech.2011.12.029 Mycobacterium tuberculosis 1
25466192 10.1016/j.bmcl.2014.11.015 BV-2 1
25466192 10.1016/j.bmcl.2014.11.015 ADMET 1

Data from ChEMBL 36 via Core Engine