General Information of the Compound
| Compound ID |
CP0067401
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| Compound Name |
(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine
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| Synonyms |
AMD 070
AMD-070
AMD070
AMD11070
N'-(1H-Benzo[d]imidazol-2-ylmethyl)-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine Trihydrobromide Dihydrate
N-(1H-benzoimidazol-2-ylmethyl)-N-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
S14-0353
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| Structure |
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| Formula |
C21H27N5
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| Molecular Weight |
349.482
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| Canonical SMILES |
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1
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| InChIKey |
WVLHHLRVNDMIAR-IBGZPJMESA-N
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| CAS |
558447-26-0
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound
Drug 1 ( AMD-070 )
| Drug Name | AMD-070 | ||
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| Company | Genzyme | ||
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| Target(s) |
C-X-C chemokine receptor type 4 (CXCR4)
Antagonist
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