PF-232798

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Synonyms
Status
Molecule Category Free-form
UNII 63P7W7886U

Structure

InChI Key QETUKYDWZIRTEI-QUMGSSFMSA-N
Smiles CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1C[C@@H](n1c(C)nc3c1CCN(C(=O)C(C)C)C3)C2)c1cccc(F)c1
InChI
InChI=1S/C29H40FN5O2/c1-18(2)29(37)33-12-11-28-27(17-33)31-19(3)35(28)25-15-23-8-9-24(16-25)34(23)13-10-26(32-20(4)36)21-6-5-7-22(30)14-21/h5-7,14,18,23-26H,8-13,15-17H2,1-4H3,(H,32,36)/t23-,24+,25+,26-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H40FN5O2
Molecular Weight 509.67
AlogP 4.31
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 70.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 37.0

Pharmacology

Mechanism of Action Action Reference
C-C chemokine receptor type 5 inhibitor INHIBITOR PubMed PubMed

Target Conservation

Protein: C-C chemokine receptor type 5
Description: C-C chemokine receptor type 5
Organism : Homo sapiens
P51681 ENSG00000160791

Cross References

Resources Reference
ChEMBL CHEMBL1649931
DrugBank DB14813
FDA SRS 63P7W7886U
SureChEMBL SCHEMBL1049072
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