Structure

InChI Key RXIUEIPPLAFSDF-CYBMUJFWSA-N
Smile CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
InChI
InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N3O5
Molecular Weight 397.43
AlogP 2.9
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 111.88
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Interleukin-8 receptor A antagonist
Primary Target
CXCR2

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Psoriasis 2 D011565 ClinicalTrials
Asthma 2 D001249 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 473727-83-2
ChEMBL CHEMBL216981
FDA SRS 7V3BY6G538
Guide to Pharmacology 8497
PubChem 11281445
SureChEMBL SCHEMBL2024684
ZINC ZINC000100033051
CAS NUMBER 473727-83-2
ChEMBL CHEMBL2103864
FDA SRS 7V3BY6G538
Guide to Pharmacology 8497
PubChem 11281445
SureChEMBL SCHEMBL2024684