Details
Stereochemistry | ACHIRAL |
Molecular Formula | C30H37Cl2N2O2.I |
Molecular Weight | 655.437 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[I-].CC[N@+]2(CC1=CCCCCCC1)CC[C@@H](CC2)NC(=O)C3C4=C(OC5=C3C=C(Cl)C=C5)C=CC(Cl)=C4
InChI
InChIKey=FOAFBMYSXIGAOX-MUMZCOSOSA-N
InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34-;
Molecular Formula | C30H37Cl2N2O2 |
Molecular Weight | 528.533 |
Charge | 1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | HI |
Molecular Weight | 127.9124 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/10854442Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/27895119 | https://www.ncbi.nlm.nih.gov/pubmed/23532518
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10854442
Curator's Comment: description was created based on several sources, including:
https://www.ncbi.nlm.nih.gov/pubmed/27895119 | https://www.ncbi.nlm.nih.gov/pubmed/23532518
UCB35625 is a potential inhibitor of chemokine/eosinophil interactions. UCB35625 is a trans-isomer of a compound J113863, which was originally identified by scientists at Banyu Pharmaceutical Company as a candidate small molecule chemokine receptor antagonist. UCB35625 initially identified as CCR1 and CCR3 antagonists also bind to CCR2 and CCR5 and act as full agonist, partial agonist or antagonist according to the nature of the receptor and the signaling pathway investigated. UCB35625 shows promise as a lead compound for the design of future therapeutics, which may be of use in the treatment of allergic inflammatory diseases such as asthma and also the blockade of viral entry by HIV strains that utilize CCR3.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2413 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10854442 |
9.57 nM [IC50] | ||
Target ID: CHEMBL3473 Sources: https://www.ncbi.nlm.nih.gov/pubmed/10854442 |
93.8 nM [IC50] | ||
Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27895119 |
5.4 null [pIC50] | ||
Target ID: CHEMBL274 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27895119 |
5.6 null [pIC50] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
|||
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10854442
UCB35625 Inhibits CCR3-mediated Viral Entry of the Primary HIV-1 Isolate 89.6. UCB35625 and eotaxin were potent inhibitors of viral entry, acting in a dose-dependent fashion, with IC50 values of 36.0 ng/ml (57.0 nM) and 211.9 ng/ml (25.5 nM), respectively.
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:58:35 GMT 2023
by
admin
on
Sat Dec 16 09:58:35 GMT 2023
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Record UNII |
HD099HOT7H
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Record Status |
Validated (UNII)
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Record Version |
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HD099HOT7H
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admin on Sat Dec 16 09:58:35 GMT 2023 , Edited by admin on Sat Dec 16 09:58:35 GMT 2023
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