MAVORIXAFOR

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Synonyms
Status
Molecule Category Free-form
UNII 0G9LGB5O2W

Structure

InChI Key WVLHHLRVNDMIAR-IBGZPJMESA-N
Smiles NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc21
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H27N5
Molecular Weight 349.48
AlogP 3.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 70.83
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
C-X-C chemokine receptor type 4 antagonist ANTAGONIST PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 20
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- - - - 100
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 35
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CXC chemokine receptor
- 5-30 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 5-30 - - 20-100
Human immunodeficiency virus 1
15-55 3-16 - - -

Target Conservation

Protein: C-X-C chemokine receptor type 4
Description: C-X-C chemokine receptor type 4
Organism : Homo sapiens
P61073 ENSG00000121966

Cross References

Resources Reference
ChEBI 138865
ChEMBL CHEMBL518924
DrugBank DB05501
FDA SRS 0G9LGB5O2W
Guide to Pharmacology 8580
SureChEMBL SCHEMBL2511950
ZINC ZINC000033359232
CONTENTS