AZD5672

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 61XQN688TW

Structure
InChI Key QOSMEMHKXNNIGG-SSEXGKCCSA-N
Smile CCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1
InChI
InChI=1S/C31H43F2N3O5S2/c1-4-36(31(37)19-23-5-7-29(8-6-23)42(2,38)39)28-11-14-34(15-12-28)16-13-30(25-20-26(32)22-27(33)21-25)24-9-17-35(18-10-24)43(3,40)41/h5-8,20-22,24,28,30H,4,9-19H2,1-3H3/t30-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C31H43F2N3O5S2
Molecular Weight 639.83
AlogP 4.07
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 11.0
Polar Surface Area 95.07
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 43.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST C-C chemokine receptor type 5 antagonist PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 23000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 9000 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 11000-24000 - - -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Chemokine receptor CC chemokine receptor
- 0-1 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Arthritis, Rheumatoid 2 D001172 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1951914
FDA SRS 61XQN688TW
Guide to Pharmacology 7686
SureChEMBL SCHEMBL2767780
ZINC ZINC000043101474
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