A1H3T
4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid
Find entries where: A1H3T
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid |
Synonyms | CTX-4430 |
Identifiers | 4-[[(1~{S},4~{S})-5-[[4-[4-(1,3-oxazol-2-yl)phenoxy]phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzoic acid |
Formula | C29 H27 N3 O4 |
Molecular Weight | 481.542 |
Type | NON-POLYMER |
Isomeric SMILES | c1cc(ccc1CN2C[C@@H]3C[C@H]2CN3Cc4ccc(cc4)Oc5ccc(cc5)c6ncco6)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 |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 63 |
Chiral Atom Count | 2 |
Bond Count | 68 |
Aromatic Bond Count | 23 |
Drug Info: DrugBank
DrugBank ID | DB15385 |
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Name | Acebilustat |
Groups | investigational |
Description | Acebilustat is under investigation in clinical trial NCT01748838 (Phase 1 Study Assessing the Safety and Tolerability of CTX-4430). |
Synonyms | Acebilustat |
Categories |
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CAS number | 943764-99-6 |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL4297604 |
PubChem | 68488178 |
ChEMBL | CHEMBL4297604 |