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Compound Detail

CHEMBL1951914

AZD5672
🧪 Phase II
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🧪 Phase II
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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1951914
Name AZD5672
Phase Phase II
Structure Type MOL
InChI Key QOSMEMHKXNNIGG-SSEXGKCCSA-N

Known Names

Azd 5672 Azd-5672 Azd5672
4
Targets
6
Activities
1
Assay Types
11
PK Parameters
14
Publications
3
Known Names
2
Indications
1
Mechanisms

Molecular Properties

639.8
MW (Da)
4.07
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.37
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C31H43F2N3O5S2
MW 639.83
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -1.58

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
C-C chemokine receptor type 5 antagonist ANTAGONIST C-C chemokine receptor type 5 ✓ ✓

Indications

Arthritis, Rheumatoid Kidney Diseases

Activity Summary

IC50 6 meas. best 9.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
C-C chemokine receptor type 5
CHEMBL274
 IC50 9.59 9.375 0.3 2
Cytochrome P450 3A4
CHEMBL340
 IC50 5.05 5.05 9000.0 1
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 4.96 4.79 11000.0 2
Cytochrome P450 2D6
CHEMBL289
 IC50 4.64 4.64 23000.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 18.0 mL.min-1.g-1 Homo sapiens
CL 38.0 mL.min-1.kg-1 Rattus norvegicus
CL 15.0 mL.min-1.kg-1 Canis lupus familiaris
CL 22.0 mL.min-1.kg-1 Canis lupus familiaris
F 41.0 % Rattus norvegicus
F 46.0 % Canis lupus familiaris
F 51.0 % Canis lupus familiaris
Fu 0.08 - Homo sapiens
T1/2 2.1 hr Rattus norvegicus
T1/2 3.9 hr Canis lupus familiaris
T1/2 3.8 hr Canis lupus familiaris

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
C-C chemokine receptor type 5 IC50 = 0.26 nM 9.59 Displacement of [125I]MIP-1alpha from human recombinant CCR5 expressed in CHO ce... 22266038
C-C chemokine receptor type 5 IC50 = 0.69 nM 9.16 Antagonist activity at CCR5 in allo T cells assessed as inhibition of MIP-1beta-... 22266038
Cytochrome P450 3A4 IC50 = 9000.0 nM 5.05 Inhibition of CYP3A4 22266038
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 11000.0 nM 4.96 Inhibition of human ERG by electrophysiological assay 22266038
Cytochrome P450 2D6 IC50 = 23000.0 nM 4.64 Inhibition of CYP2D6 22266038
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 24000.0 nM 4.62 Displacement of 3,7-Bis[2-(4-nitro[3,5-3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]n... 22266038

Literature References

PubMed DOI Target Context # Activities
22266038 10.1016/j.bmcl.2011.12.117 Canis familiaris 8
22266038 10.1016/j.bmcl.2011.12.117 Rattus norvegicus 4
22266038 10.1016/j.bmcl.2011.12.117 Caco-2 4
22266038 10.1016/j.bmcl.2011.12.117 C-C chemokine receptor type 5 3
22266038 10.1016/j.bmcl.2011.12.117 No relevant target 3
22266038 10.1016/j.bmcl.2011.12.117 Voltage-gated inwardly rectifying potassium channel KCNH2 2
22266038 10.1016/j.bmcl.2011.12.117 Plasma 2
22266038 10.1016/j.bmcl.2011.12.117 Homo sapiens 2
22266038 10.1016/j.bmcl.2011.12.117 Liver microsomes 1
22266038 10.1016/j.bmcl.2011.12.117 Cytochrome P450 1A1 1
22266038 10.1016/j.bmcl.2011.12.117 Cytochrome P450 2C9 1
22266038 10.1016/j.bmcl.2011.12.117 Cytochrome P450 2C19 1
22266038 10.1016/j.bmcl.2011.12.117 Cytochrome P450 2D6 1
22266038 10.1016/j.bmcl.2011.12.117 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine