Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H47Br2N9O5 |
Molecular Weight | 869.645 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
NCCCC[C@H](NC(=O)[C@@H](CC1=CC(Br)=C(O)C(Br)=C1)NC(=O)N2CCC(CC2)N3CC4=CC=CC=C4NC3=O)C(=O)N5CCN(CC5)C6=CC=NC=C6
InChI
InChIKey=ITIXDWVDFFXNEG-JHOUSYSJSA-N
InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1
Originator
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10711339
Curator's Comment: # Boehringer Ingelheim Pharma
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: Q16602 Gene ID: 10203.0 Gene Symbol: CALCRL Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17665333 |
14.4 pM [Ki] |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Cmax
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
1090 ng/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15265053 |
10 mg single, intravenous dose: 10 mg route of administration: Intravenous experiment type: SINGLE co-administered: |
OLCEGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
AUC
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
842 ng × h/mL EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15265053 |
10 mg single, intravenous dose: 10 mg route of administration: Intravenous experiment type: SINGLE co-administered: |
OLCEGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
T1/2
Value | Dose | Co-administered | Analyte | Population |
---|---|---|---|---|
2.37 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/15265053 |
10 mg single, intravenous dose: 10 mg route of administration: Intravenous experiment type: SINGLE co-administered: |
OLCEGEPANT plasma | Homo sapiens population: HEALTHY age: ADULT sex: FEMALE / MALE food status: FED |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.clinicaltrials.gov/ct2/show/NCT02198339
In a clinical trial, patients received intravenous 10 min infusion of olcegepant at doses ranging from 0.1 to 10.0 mg.
Route of Administration:
Intravenous
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10711339
SK-N-MC (neuroblastoma cell line of human origin) cell membranes were treated with olcegepant at concentrations from 10(-13) to 10(-9) in a binding assay and at 10 nM in a functional assay (stimulation of cyclic AMP formation).
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300000034277
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C170245
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DTXSID10174443
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DB04869
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Olcegepant
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6918509
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ACTIVE MOIETY