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7,10-diazatetracyclo[8.5.1.0?,¹?.0¹¹,¹?]hexadeca-1,3,5(16)-triene

AlkaPlorer ID: AK057854

Synonym: None

IUPAC Name: (11R,15R)-7,10-diazatetracyclo[8.5.1.05,16.011,15]hexadeca-1,3,5(16)-triene

Structure

SMILES: C1=CC2=C3C(=C1)[C@H]1CCC[C@H]1N3CCNC2

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InChI: InChI=1S/C14H18N2/c1-3-10-9-15-7-8-16-13-6-2-4-11(13)12(5-1)14(10)16/h1,3,5,11,13,15H,2,4,6-9H2/t11-,13-/m1/s1

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InChIKey: XOSKJKGKWRIMGV-DGCLKSJQSA-N

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Reference

PubChem CID: 10130594

CAS: 428868-32-0

NPASS: NPC313673

Properties Information

Molecule Weight: 214.31199999999995

TPSA？: 15.27

MolLogP？: 2.2459

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Serotonin 2b (5-HT2b) receptor Emax 40.0 % 10.1021/jm5019274
Homo sapiens Serotonin 2c (5-HT2c) receptor EC50 8.0 nM 10.1021/jm401802f
Homo sapiens Serotonin 2c (5-HT2c) receptor EC50 8.0 nM 10.1021/jm5019274
Homo sapiens Serotonin 2c (5-HT2c) receptor Emax 90.0 % 10.1021/jm5019274
Homo sapiens Serotonin 2c (5-HT2c) receptor K 8.0 nM 10.1021/acs.jmedchem.2c00633
Homo sapiens Serotonin 2c (5-HT2c) receptor K 10.0 nM 10.1021/acs.jmedchem.2c00633
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 10.0 nM 10.1021/jm401802f
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki 10.5 nM 10.1016/j.bmcl.2019.126929
Homo sapiens Serotonin 2 receptors; 5-HT2a & 5-HT2c Ratio Ki 20.0 None 10.1016/j.bmcl.2019.126929
Rattus norvegicus Rattus norvegicus Activity 46.0 % 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus Activity 54.0 % 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus Activity 92.0 % 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus Activity 100.0 % 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus Activity nan None 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus ED50 0.51 mg.kg-1 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus T1/2 0.037 hr 10.1021/acs.jmedchem.9b01953
Rattus norvegicus Rattus norvegicus T1/2 0.06233 hr 10.1021/acs.jmedchem.9b01953
None Unchecked Ratio Ki 40.0 None 10.1016/j.bmcl.2019.126929

Metabolism Information