1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide , CAS No.R609087, Inhibitor of complement factor D

Item Number
R609087
Grouped product items
SKUSizeAvailabilityPrice Qty
R609087-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,180.90
R609087-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$4,200.90

Basic Description

Specifications & PurityMoligand™
GradeMoligand™
Action TypeINHIBITOR
Mechanism of actionInhibitor of complement factor D

Associated Targets(Human)

CFD Tchem Complement factor D (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Associated Targets(non-human)

Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences
HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

DailyMed: [1]


Wikipedia: [1]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

DailyMed: [1]


PubMed: [1]


Wikipedia: [1]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

DailyMed: [1]


Wikipedia: [1] , [2] , [3] , [4]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

DailyMed: [1]


Wikipedia: [1]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

PubMed: [1]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

PubMed: [1] , [2]


Wikipedia: [1]


HERG blockerBLOCKERALA240HERGSINGLE PROTEINHomo sapiens

EMA: [1]


FDA: [1]


PubMed: [1] , [2]


Cytochrome P450 3A4 inhibitorINHIBITORALA340Cytochrome P450 3A4SINGLE PROTEINHomo sapiens

PubMed: [1]


Wikipedia: [1]


Complement factor D inhibitorINHIBITORALA2176771Complement factor DSINGLE PROTEINHomo sapiens

PubMed: [1] , [2]


Complement factor D inhibitorINHIBITORALA2176771Complement factor DSINGLE PROTEINHomo sapiens

Other: [1]


PubMed: [1]


Names and Identifiers

IUPAC Name 1-[2-[(1R,3S,5R)-3-[(6-bromopyridin-2-yl)carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
INCHI InChI=1S/C21H19BrN6O3/c22-16-6-3-7-17(24-16)25-21(31)15-9-11-8-14(11)28(15)18(29)10-27-13-5-2-1-4-12(13)19(26-27)20(23)30/h1-7,11,14-15H,8-10H2,(H2,23,30)(H,24,25,31)/t11-,14-,15+/m1/s1
InChi Key CWZUTHDJLNZLCM-DFBGVHRSSA-N
Canonical SMILES Brc1cccc(n1)NC(=O)[C@@H]1C[C@@H]2[C@H](N1C(=O)Cn1nc(c3c1cccc3)C(=O)N)C2
Isomeric SMILES C1[C@H]2[C@@H]1N([C@@H](C2)C(=O)NC3=NC(=CC=C3)Br)C(=O)CN4C5=CC=CC=C5C(=N4)C(=O)N
PubChem CID 86673884

Certificates

C of A & Other Certificates(BSE/TSE, COO)

Related Documents

References

1. Lorthiois E, Anderson K, Vulpetti A, Rogel O, Cumin F, Ostermann N, Steinbacher S, Mac Sweeney A, Delgado O, Liao SM et al..  (2017)  Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo..  J Med Chem,  60  (13): (5717-5735).  [PMID:28621538] [10.1021/op500134e]

Solution Calculators