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Compound Detail

CHEMBL518924

MAVORIXAFOR
💊 Approved Drug
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💊 Approved Drug
NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21

Basic Information

ChEMBL ID CHEMBL518924
Name MAVORIXAFOR
Phase Approved
Structure Type MOL
InChI Key WVLHHLRVNDMIAR-IBGZPJMESA-N
Therapeutic ✓ Yes

Known Names

Amd 070 AMD-070 AMD-11070 AMD070 AMD11070 Cxcr4 inhibitor x4p-001 Mavorixafor X 4P-001 X4P-001 X4p001 Xolremdi
7
Targets
21
Activities
3
Assay Types
30
PK Parameters
20
Publications
11
Known Names
7
Indications
1
Mechanisms

Molecular Properties

349.5
MW (Da)
3.58
ALogP
4
HBA
2
HBD
70.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2024
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Oral

Flags

Natural Product First in Class
USAN Stem -ixafor
USAN Year 2018

Extended Properties

Molecular Formula C21H27N5
MW 349.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.02

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
C-X-C chemokine receptor type 4 antagonist ANTAGONIST C-X-C chemokine receptor type 4

Indications

Neoplasms Neutropenia Breast Neoplasms Carcinoma, Renal Cell HIV Infections Melanoma Waldenstrom Macroglobulinemia

ATC Classification

L03AX24
mavorixafor
Level 1: ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
Level 2: IMMUNOSTIMULANTS

Activity Summary

IC50 17 meas. best 8.52
EC50 3 meas. best 7.82
Ki 1 meas. best 7.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
IC50 8.52 8.115 3.0 6
C-X-C chemokine receptor type 4
CHEMBL2107
IC50 8.3 8.0 5.0 4
Human immunodeficiency virus 1
CHEMBL378
EC50 7.82 7.5133 15.0 3
C-X-C chemokine receptor type 4
CHEMBL2107
Ki 7.64 7.64 23.0 1
Cytochrome P450 2D6
CHEMBL289
IC50 5.8 5.7933 1600.0 3
D(2) dopamine receptor
CHEMBL217
IC50 5.39 5.39 4100.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
IC50 5.28 5.28 5200.0 1
Muscarinic acetylcholine receptor M2
CHEMBL211
IC50 5.12 5.12 7500.0 1
Mu-type opioid receptor
CHEMBL233
IC50 4.92 4.92 12000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2.0 ng.hr.mL-1 Homo sapiens
AUC 358.0 ng.hr.mL-1 Homo sapiens
AUC 1695.0 ng.hr.mL-1 Homo sapiens
AUC 6716.0 ng.hr.mL-1 Homo sapiens
AUC 937.0 ng.hr.mL-1 Homo sapiens
AUC 1590.0 ng.hr.mL-1 Homo sapiens
AUC 7662.0 ng.hr.mL-1 Homo sapiens
AUC 5.8 - Rattus norvegicus
AUC 3.4 - Canis lupus familiaris
AUC 58.0 ng.hr.mL-1 Rattus norvegicus
AUC 934.0 ng.hr.mL-1 Homo sapiens
AUC 1643.0 ng.hr.mL-1 Homo sapiens
AUC 1205.0 ng.hr.mL-1 Homo sapiens
AUC 100.6 ng.hr.mL-1 Mus musculus
AUC 415.0 ng.hr.mL-1 Mus musculus
AUC 35.1 ng.hr.mL-1 Mus musculus
AUC 101.0 ng.hr.mL-1 Mus musculus
CL 3.7 mL.min-1.kg-1 Rattus norvegicus
CL 1.3 mL.min-1.kg-1 Canis lupus familiaris
CL 30.51 uL.min-1.(10^6cells)-1 Rattus norvegicus
CL 46.0 mL.min-1.g-1 Homo sapiens
CL 1776.0 mL.min-1.kg-1 Rattus norvegicus
CL 120.5 mL.min-1.kg-1 Mus musculus
CL 120.5 mL.min-1.kg-1 Mus musculus
Cmax 454.96 nM Homo sapiens
Cmax 789.74 nM Homo sapiens
Cmax 2847.09 nM Homo sapiens
Cmax 4017.4 nM Homo sapiens
Cmax 1319.1 nM Homo sapiens
Cmax 2269.09 nM Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Human immunodeficiency virus 1 IC50 = 3.0 nM 8.52 Antiviral activity against HIV1 NL4.3 infected in human MT4 cells expressing CD4... 20297846
Human immunodeficiency virus 1 IC50 = 4.8 nM 8.32 Antiviral activity against X4 tropic HIV1 NL4.3 infected in CD4 and CXCR4 expres... 21295470
C-X-C chemokine receptor type 4 IC50 = 5.0 nM 8.3 Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of S... 29795757
C-X-C chemokine receptor type 4 IC50 = 5.18 nM 8.29 Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibi... 34676043
Human immunodeficiency virus 1 IC50 = 9.0 nM 8.05 Antiviral activity against HIV1 NL4.3 infected in human PBMC assessed as inhibit... 20297846
Human immunodeficiency virus 1 IC50 = 10.0 nM 8.0 Antiviral activity against HIV1 3B infected in human HOS cells 19640718
Human immunodeficiency virus 1 IC50 = 10.0 nM 8.0 Antiviral activity against HIV1 3B infected in human HOS cells expressing human ... 20443225
C-X-C chemokine receptor type 4 IC50 = 13.0 nM 7.89 Displacement of [125I]SDF-1-alpha from CXCR4 in human CEM-CCRF cells by liquid s... 20297846
Human immunodeficiency virus 1 EC50 = 15.0 nM 7.82 Antiviral activity against HIV1 X4 infected in human PBMC assessed as inhibition... 19451305
Human immunodeficiency virus 1 IC50 = 16.0 nM 7.8 Antiviral activity against HIV1 NL4.3 infected in human MT4 cells assessed as in... 20297846
C-X-C chemokine receptor type 4 Ki = 23.0 nM 7.64 Binding affinity to CXCR4 (unknown origin) assessed as inhibition constant 28165741
C-X-C chemokine receptor type 4 IC50 = 30.0 nM 7.52 Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B in... 24936240
Human immunodeficiency virus 1 EC50 = 35.0 nM 7.46 Antiviral activity against HIV1 NL4-3 infected in human PBMC assessed as inhibit... 19451305
Human immunodeficiency virus 1 EC50 = 55.0 nM 7.26 Antiviral activity against HIV1 89.6 infected in human PBMC assessed as inhibiti... 19451305
Cytochrome P450 2D6 IC50 = 1600.0 nM 5.8 Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells u... 29350534
Cytochrome P450 2D6 IC50 = 1640.0 nM 5.79 Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using... 29795757
Cytochrome P450 2D6 IC50 = 1640.0 nM 5.79 Inhibition of human recombinant CYP2D6 expressed in insect cells using AMMC as s... 34676043
D(2) dopamine receptor IC50 = 4100.0 nM 5.39 Inhibition of dopamine D2 receptor (unknown origin) 35179893
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 5200.0 nM 5.28 Inhibition of human ERG by [3H]]Astemizole binding assay 35179893
Muscarinic acetylcholine receptor M2 IC50 = 7500.0 nM 5.12 Inhibition of M2 mAChR receptor (unknown origin) 35179893

Literature References

PubMed DOI Target Context # Activities
17452489 10.1128/aac.00013-07 Homo sapiens 61
18285477 10.1128/aac.01460-07 Homo sapiens 21
35179893 10.1021/acs.jmedchem.1c01564 ADMET 12
34676043 10.1021/acsmedchemlett.1c00449 ADMET 11
19451305 10.1128/aac.01727-08 Human immunodeficiency virus 1 8
20297846 10.1021/jm100073m Rattus norvegicus 8
20297846 10.1021/jm100073m Human immunodeficiency virus 1 7
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
20297846 10.1021/jm100073m Canis familiaris 4
17452489 10.1128/aac.00013-07 Rattus norvegicus 3
18285477 10.1128/aac.01460-07 Rattus norvegicus 3
- 10.6019/CHEMBL3301361 ADMET 3
29795757 10.1021/acsmedchemlett.8b00030 ADMET 3
17452489 10.1128/aac.00013-07 Canis familiaris 3
32768738 10.1016/j.ejmech.2020.112537 ADMET 2
29795757 10.1021/acsmedchemlett.8b00030 C-X-C chemokine receptor type 4 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
17452489 10.1128/aac.00013-07 Human immunodeficiency virus 1 2
20297846 10.1021/jm100073m C-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine