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Compound Detail

CHEMBL2106613

ANECORTAVE ACETATE
🧪 Phase III
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🧪 Phase III
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2106613
Name ANECORTAVE ACETATE
Phase Phase III
Structure Type MOL
InChI Key YUWPMEXLKGOSBF-GACAOOTBSA-N

Known Names

AL 3789 AL 4940 AL-3789 AL-4940 AL3789 AL4940 Anecortava Anecortave Anecortave (usan) Anecortave acetate Anecortave desacetate NSC-15475 +1 more
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
13
Known Names
9
Indications
1
Mechanisms

Molecular Properties

386.5
MW (Da)
3.30
ALogP
5
HBA
1
HBD
80.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -cort-
USAN Year 1998

Extended Properties

Molecular Formula C23H30O5
MW 386.49
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.21

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Unknown - - ✓ ✓

Indications

Macular Degeneration Macular Degeneration Retinal Neovascularization Eye Diseases Glaucoma, Open-Angle Retinal Telangiectasis Retinal Vein Occlusion Telangiectasis Diabetic Retinopathy

ATC Classification

S01LA02
anecortave
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS

Activity Summary

EC50 1 meas. best 6.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 6.67 6.67 212.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 212.0 nM 6.67 Inhibition of TNFalpha-induced NFkappaB activation in mouse C2C12 cells incubate... 23498916

Literature References

PubMed DOI Target Context # Activities
37468498 10.1038/s41467-023-40064-9 Cannabinoid receptor 1 3
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
23498916 10.1016/j.bmc.2013.02.009 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Kappa-type opioid receptor 1
37468498 10.1038/s41467-023-40064-9 Equilibrative nucleoside transporter 1 1
37468498 10.1038/s41467-023-40064-9 D(2) dopamine receptor 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 1
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A1 1
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2C 1
37468498 10.1038/s41467-023-40064-9 Neuronal acetylcholine receptor subunit alpha-4 1
37468498 10.1038/s41467-023-40064-9 Sodium-dependent dopamine transporter 1
37468498 10.1038/s41467-023-40064-9 Beta-1 adrenergic receptor 1
37468498 10.1038/s41467-023-40064-9 Glutamate receptor ionotropic, NMDA 1 1
37468498 10.1038/s41467-023-40064-9 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine