Bioactive Compound Details

BioIDbio2907
NameMAVORIXAFOR
ChEMBL IDCHEMBL518924
Molecular FormulaC21H27N5
Molecular Weight349.48
Molecular Weight (Monoisotopic)349.2266
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAMD 070|AMD-070|AMD-11070|AMD070|AMD11070|CXCR4 INHIBITOR X4P-001|MAVORIXAFOR|X 4P-001|X4P-001|X4P001
SmilesNCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
InchiInChI=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
Inchi KeyWVLHHLRVNDMIAR-IBGZPJMESA-N
Molecular SpeciesBASE
Targets30.0
Bioactivities196.0
Np Likeness Score-1.02
Records Key['2, AMD11070', '1, AMD-070', 'AMD070', 'AMD-070', 'AMD070', '2, AMD-070', 'AMD11070', '2, AMD11070', 'MAVORIXAFOR', 'AMD-070', '3570', '1, AMD070', '2; AMD11070', 'AMD-070', 'AMD-070', 'MAVORIXAFOR (TRIHYDROCHLORIDE)', 'Mavorixafor (trihydrochloride)', 'MAVORIXAFOR', 'Mavorixafor (trihydrochloride)', 'Mavorixafor (trihydrochloride)', 'AMD11070', '2; AMD11070', 'AMD11070', '13; AMD11070']
Records Name['(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', 'MAVORIXAFOR', '(S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine', None, 'N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', 'AMD-070', 'AMD-070', 'MAVORIXAFOR (TRIHYDROCHLORIDE)', 'Mavorixafor (trihydrochloride)', 'MAVORIXAFOR', 'Mavorixafor (trihydrochloride)', 'Mavorixafor (trihydrochloride)', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine', '(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure