Details of the Drug

General Information of Drug (ID: DM19UTO)

Drug Name

Acebilustat

Synonyms

UNII-J64RI4D29U; J64RI4D29U; 943764-99-6; Acebilustat [INN]; Acebilustat(ZK322); Acebilustat [WHO-DD]; SCHEMBL3036353; MolPort-046-033-585; EX-A1277; EP-501; AKOS030632028; CS-5999; HY-17625; Benzoic acid, 4-(((1S,4S)-5-((4-(4-(2-oxazolyl)phenoxy)phenyl)methyl)-2,5-diazabicyclo(2.2.1)hept-2-yl)methyl)-

Indication

Disease Entry	ICD 11	Status	REF
Chronic blistering skin disorder	ME63.3	Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

481.5

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C29H27N3O4
IUPAC Name: 4-[[(1S,4S)-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
Canonical SMILES: C1[C@H]2CN([C@@H]1CN2CC3=CC=C(C=C3)OC4=CC=C(C=C4)C5=NC=CO5)CC6=CC=C(C=C6)C(=O)O
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
InChIKey: GERJIEKMNDGSCS-DQEYMECFSA-N