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Compound Detail

CHEMBL323348

DIMETHYL PHTHALATE
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COC(=O)c1ccccc1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323348
Name DIMETHYL PHTHALATE
Phase Preclinical
Structure Type MOL
InChI Key NIQCNGHVCWTJSM-UHFFFAOYSA-N

Known Names

Avolin Dimethyl o-phthalate Dimethyl phthalate Dimethylphtalate Dimethylphthalate Mipax NSC-15398 Palatinol m Phthalic acid, dimethyl ester
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
9
Known Names
1
Indications

Molecular Properties

194.2
MW (Da)
1.26
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C10H10O4
MW 194.19
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.24

Indications

Ectoparasitic Infestations

ATC Classification

P03BX02
dimethylphthalate
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS

Literature References

PubMed DOI Target Context # Activities
17418579 10.1016/j.bmc.2007.03.040 ADMET 5
20041672 10.1021/jm9016703 No relevant target 3
10956207 10.1021/jm000191g Sodium-dependent dopamine transporter 1
10956207 10.1021/jm000191g Sodium-dependent serotonin transporter 1
17418579 10.1016/j.bmc.2007.03.040 No relevant target 1
28285915 10.1016/j.bmcl.2017.03.001 No relevant target 1

Data from ChEMBL 36 via Core Engine