ACEBILUSTAT

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: J64RI4D29U

Structure
InChI Key GERJIEKMNDGSCS-DQEYMECFSA-N
Smile O=C(O)c1ccc(CN2C[C@@H]3C[C@H]2CN3Cc2ccc(Oc3ccc(-c4ncco4)cc3)cc2)cc1
InChI
InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H27N3O4
Molecular Weight 481.55
AlogP 5.29
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 79.04
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Leukotriene A4 hydrolase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M1 family
- 3-142 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Acne Vulgaris 2 D000152 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Cystic Fibrosis 2 D003550 ClinicalTrials
Lymphedema 2 D008209 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL4297604
DrugBank DB15385
FDA SRS J64RI4D29U
PubChem 68488178
SureChEMBL SCHEMBL3036353
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