Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C31H41ClN4O3 |
| Molecular Weight | 553.135 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(=O)N1CCC(CC1)C(=O)N(CCCN2CCC(CC3=CC=C(C=C3)C(N)=O)CC2)C4=CC=C(C)C(Cl)=C4
InChI
InChIKey=ASSJTMUEFHUKMJ-UHFFFAOYSA-N
InChI=1S/C31H41ClN4O3/c1-22-4-9-28(21-29(22)32)36(31(39)27-12-18-35(19-13-27)23(2)37)15-3-14-34-16-10-25(11-17-34)20-24-5-7-26(8-6-24)30(33)38/h4-9,21,25,27H,3,10-20H2,1-2H3,(H2,33,38)
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL274 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16048963 |
3.5 nM [IC50] |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Isolation and characterization of human immunodeficiency virus type 1 resistant to the small-molecule CCR5 antagonist TAK-652. | 2007-02 |
|
| Discovery of a piperidine-4-carboxamide CCR5 antagonist (TAK-220) with highly potent Anti-HIV-1 activity. | 2006-05-04 |
|
| Highly potent inhibition of human immunodeficiency virus type 1 replication by TAK-220, an orally bioavailable small-molecule CCR5 antagonist. | 2005-08 |
Patents
| Name | Type | Language | ||
|---|---|---|---|---|
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Preferred Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5275766
Created by
admin on Mon Mar 31 18:27:08 GMT 2025 , Edited by admin on Mon Mar 31 18:27:08 GMT 2025
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PRIMARY | |||
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333994-00-6
Created by
admin on Mon Mar 31 18:27:08 GMT 2025 , Edited by admin on Mon Mar 31 18:27:08 GMT 2025
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928QIN0R16
Created by
admin on Mon Mar 31 18:27:08 GMT 2025 , Edited by admin on Mon Mar 31 18:27:08 GMT 2025
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PRIMARY | |||
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DTXSID00187027
Created by
admin on Mon Mar 31 18:27:08 GMT 2025 , Edited by admin on Mon Mar 31 18:27:08 GMT 2025
|
PRIMARY |
SUBSTANCE RECORD