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Compound Detail

CHEMBL465183

DIHOMO-GAMMA-LINOLENIC ACID
🧪 Phase II
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🧪 Phase II
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465183
Name DIHOMO-GAMMA-LINOLENIC ACID
Phase Phase II
Structure Type MOL
InChI Key HOBAELRKJCKHQD-QNEBEIHSSA-N

Known Names

.gamma.-homolinolenic acid 20:3 (.omega.-6) fatty acid 20:3(N-6) 8z,11z,14z-eicosatrienoic acid Bishomo-.gamma.-linolenic acid Cis-8,11,14-eicosatrienoicacid Daleuton Dihomo-.gamma.-linolenic acid Dihomo-gamma-linolenic acid Diroleuton Ds-107 DS-107G +3 more
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
15
Known Names
1
Indications

Molecular Properties

306.5
MW (Da)
6.44
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C20H34O2
MW 306.49
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 1.08

Indications

Dermatitis, Atopic

Activity Summary

IC50 7 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Peroxisome proliferator-activated receptor alpha
CHEMBL239
 IC50 5.85 5.85 1400.0 2
Oxoeicosanoid receptor 1
CHEMBL1628461
 IC50 5.7 5.7 2000.0 1
Peroxisome proliferator-activated receptor gamma
CHEMBL235
 IC50 5.62 5.62 2400.0 1
Peroxisome proliferator-activated receptor delta
CHEMBL3979
 IC50 5.37 5.37 4300.0 1
Coagulation factor VII/tissue factor
CHEMBL2095194
 IC50 4.52 4.32 30000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Peroxisome proliferator-activated receptor alpha IC50 = 1400.0 nM 5.85 Inhibition of PPAR-alpha (unknown origin) by SPA assay -
Peroxisome proliferator-activated receptor alpha IC50 = 1400.0 nM 5.85 Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scint... -
Oxoeicosanoid receptor 1 IC50 = 2000.0 nM 5.7 Antagonist activity at human OXE receptor fused with G-alphai assessed as inhibi... 24351031
Peroxisome proliferator-activated receptor gamma IC50 = 2400.0 nM 5.62 Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by sci... -
Peroxisome proliferator-activated receptor delta IC50 = 4300.0 nM 5.37 Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scint... -
Coagulation factor VII/tissue factor IC50 = 30000.0 nM 4.52 Inhibition of amidolytic activity of human tissue factor/human factor 7a 9834151
Coagulation factor VII/tissue factor IC50 = 75000.0 nM 4.12 Inhibition of amidolytic activity of human tissue factor/human factor 7a 9834151

Literature References

PubMed DOI Target Context # Activities
9834151 10.1021/np980117p Coagulation factor VII/tissue factor 2
9834151 10.1021/np980117p No relevant target 2
9834151 10.1021/np980117p Trypsin 2
- 10.1007/s00044-008-9102-7 Peroxisome proliferator-activated receptor alpha 1
- 10.1007/s00044-012-0285-6 Peroxisome proliferator-activated receptor delta 1
- 10.1007/s00044-012-0285-6 Peroxisome proliferator-activated receptor gamma 1
- 10.1007/s00044-012-0285-6 Peroxisome proliferator-activated receptor alpha 1
24351031 10.1021/jm401292m Oxoeicosanoid receptor 1 1
31618024 10.1021/acs.jmedchem.9b00994 RBL-2H3 1

Data from ChEMBL 36 via Core Engine