Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- MLN3897
- DrugBank Accession Number
- DB06505
- Background
MLN3897, a novel CCR1 inhibitor, disrupts osteoclast formation and blocks the interaction between multiple myeloma cells and osteoclasts.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for MLN3897 (DB06505)
- Weight
- Average: 533.11
Monoisotopic: 532.2492708 - Chemical Formula
- C32H37ClN2O3
- Synonyms
- (4S)-4-(4-CHLOROPHENYL)-1-((3E)-3-(9-(1-HYDROXY-1-METHYL-ETHYL)-5H-(1)BENZOXEPINO(3,4-B)PYRIDIN-11-YLIDENE)PROPYL)-3,3-DIMETHYL-PIPERIDIN-4-OL
- BENZOXEPINO(3,4-B)PYRIDINE-7-METHANOL, 5-(3-((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)PROPYLIDENE)-5,11-DIHYDRO-.ALPHA.,.ALPHA.-DIMETHYL-
- External IDs
- AVE-9897
Pharmacology
- Indication
Investigated for use/treatment in inflammatory disorders (unspecified) and rheumatoid arthritis.
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Not Available
- Mechanism of action
MLN3897 is a novel specific antagonist of the chemokine receptor CCR1. It inhibits osteoclastogenesis and osteoclast (OC) activity by impairing multinucleation and by down-regulation of c-fos signaling. CCR1 inhibition by MLN3897 blocks ERK pathway activation and c-fos expression and results in impaired monocyte multinucleation process as well as cathepsin K expression.
Target Actions Organism UC-C chemokine receptor type 1 Not Available Humans - Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
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Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 50SF8H9DCZ
- CAS number
- 849105-26-6
- InChI Key
- ZGFJFBOLVLFLLN-MOLVWPNASA-N
- InChI
- InChI=1S/C32H37ClN2O3/c1-30(2)21-35(18-15-32(30,37)22-9-12-24(33)13-10-22)17-6-8-25-26-7-5-16-34-28(26)20-38-29-14-11-23(19-27(25)29)31(3,4)36/h5,7-14,16,19,36-37H,6,15,17-18,20-21H2,1-4H3/b25-8+/t32-/m0/s1
- IUPAC Name
- SMILES
- CC(C)(O)C1=CC=C2OCC3=C(C=CC=N3)\C(=C/CCN3CC[C@](O)(C4=CC=C(Cl)C=C4)C(C)(C)C3)C2=C1
References
- General References
- Vallet S, Raje N, Ishitsuka K, Hideshima T, Podar K, Chhetri S, Pozzi S, Breitkreutz I, Kiziltepe T, Yasui H, Ocio EM, Shiraishi N, Jin J, Okawa Y, Ikeda H, Mukherjee S, Vaghela N, Cirstea D, Ladetto M, Boccadoro M, Anderson KC: MLN3897, a novel CCR1 inhibitor, impairs osteoclastogenesis and inhibits the interaction of multiple myeloma cells and osteoclasts. Blood. 2007 Nov 15;110(10):3744-52. doi: 10.1182/blood-2007-05-093294. Epub 2007 Aug 22. [Article]
- External Links
- ChemSpider
- 9702560
- ChEMBL
- CHEMBL4303649
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Chemokine receptor that plays a crucial role in regulating immune cell migration, inflammation, and immune responses (PubMed:14991608). Contributes to the inflammatory response by recruiting immune cells, such as monocytes, macrophages, T-cells, and dendritic cells, to sites of inflammation for the clearance of pathogens and the resolution of tissue damage. When activated by its ligands including CCL3, CCL5-9, CCL13-16 and CCL23, triggers a signaling cascade within immune cells, leading to their migration towards the source of the chemokine (PubMed:15905581). For example, mediates neutrophil migration after activation by CCL3 leading to the sequential release of TNF-alpha and leukotriene B4 (By similarity). Mediates also monocyte migration upon CXCL4 binding (PubMed:29930254). Activation by CCL5 results in neuroinflammation through the ERK1/2 signaling pathway (By similarity)
- Specific Function
- C-c chemokine binding
- Gene Name
- CCR1
- Uniprot ID
- P32246
- Uniprot Name
- C-C chemokine receptor type 1
- Molecular Weight
- 41172.19 Da
Drug created at March 19, 2008 16:35 / Updated at August 10, 2024 03:44