Drug General Information
Drug ID
D06KCU
Former ID
DCL000883
Drug Name
MLN1202
Drug Type
Small molecular drug
Indication Metastatic cancer; Multiple scierosis [ICD9: 140-199, 140-229, 210-229, 340; ICD10:D10-D36, D3A, G35] Phase 2 [537520]
Company
Novartis & Millenium
Structure
Download
2D MOL

3D MOL

Formula
C58H60N24Na2O22S6
Canonical SMILES
C1=CC(=CC(=C1)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC2=NC(=NC(=N2<br />)NC3=CC(=C(C=C3)C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC<br />=C6)S(=O)(=O)N(CC(=O)N)CC(=O)N)NC7=CC(=CC=C7)S(=O)(=O)N<br />(CC(=O)N)CC(=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC<br />=C8)S(=O)(=O)N(CC(=O)N)CC(=O)N.[Na+].[Na+]
InChI
1S/C58H62N24O22S6.2Na/c59-45(83)23-79(24-46(60)84)105(91,92)37-9-1-5-31(17-37)67-53-73-54(68-32-6-2-10-38(18-32)106(93,94)80(25-47(61)85)26-48(62)86)76-57(75-53)71-35-13-15-41(43(21-35)109(99,100)101)42-16-14-36(22-44(42)110(102,103)104)72-58-77-55(69-33-7-3-11-39(19-33)107(95,96)81(27-49(63)87)28-50(64)88)74-56(78-58)70-34-8-4-12-40(20-34)108(97,98)82(29-51(65)89)30-52(66)90;;/h1-22H,23-30H2,(H2,59,83)(H2,60,84)(H2,61,85)(H2,62,86)(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,90)(H,99,100,101)(H,102,103,104)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78);;/q;2*+1/p-2
InChIKey
UNNCHYARSNZOPF-UHFFFAOYSA-L
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) C-C chemokine receptor type 2 Target Info Antagonist [536223]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
NetPath Pathway TCR Signaling Pathway
IL2 Signaling Pathway
TGF_beta_Receptor Signaling Pathway
Leptin Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Reactome Beta defensins
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Defensins
Spinal Cord Injury
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 537520Emerging drugs for the therapy of primary and post essential thrombocythemia, post polycythemia vera myelofibrosis. Expert Opin Emerg Drugs. 2009 Jun 24.
Ref 536223Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.

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