Partition coefficients log P and log D as well as molecular weights for selected neuropeptide receptor ligands | ||||||
Compound | Peptide receptor | CAS registry | MW | Log P | Log D | Reference |
Carfentanil (1) | MOR | 59708-52-0 | 394.51 | 3.68 | 3.13 | [89] |
Cyclofoxy (2) | MOR, KOR | 103223-57-0 | 345.41 | 1.64 | 1.30 | [92] [93] |
GNTI | KOR | 219655-56-8 | 471.55 | 0.8 | −2.41 | [102] |
MeJDTic (5) | KOR | - | 481.67 | 3.65*, 2.7 |
| [104] |
JDTic (6) | KOR | 785835-79-2 | 467.64 | 3.26* |
| [105] |
SR 142948 (9) | NTS1 (NTS2) | 184162-64-9 | 685.85 | 7.22 | 4.72 | [136] |
SR 48692 (10) | NTS1 (NTS2) | 146362-70-1 | 587.07 | 5.7 | 5.2 | [135] |
Olcegepant (BIBN4069BS) (11) | CGRP | 204697-65-4 | 869.65 | 3.246 | 0.40 | [156] |
BMS-694153 (12) | CGRP | 1050381-35-5 | 644.78 | 3.081 | 0.86 | [158] |
MK-4232 (14) | CGRP | 1263291 | 585.64 | 3.38 |
| [153] |
MK3207 (15) | CGRP | 957118-49-9 | 557.62 | 0.202 | −0.12 | [159] |
MK0974 (Telcagepant) (16) | CGRP | 781649-09-0 | 566.52 | 1.3 | 1.3 | [150] |
CGRPA2 (17) | CGRP | - | 587.65 | 3.43* Non-brain penetrant |
| [153] |
LF 160687 (Anatibant) (20) | B2 | 209733-45-9 | 711.66 | 3.38 | 1.39 | [176] |
L 742,694 (21) | NK1 | 159706-39-5 | 502.41 | 4.78 | 4.72 | [224] |
CP-96345 (22) | NK1 | 132746-60-2 | 412.57 | 5.739 | 2.89 | [213] |
MK 0869 (Aprepitant) (25) L 754,030 (metabolit of MK0869) | NK1
NK1 | 170729-80-3
17012980-3 | 534.43
683.76 | 4.99 3.85* −5.5 | 4.93
−7.51 | [225] |
L 758,298 (Fosaprepitant) | NK1 | 172673-20-0 | 614.41 | 1.97 | −2.09 | [226] |
SPA-RQ (26) | NK1 | 262598-99-2 | 450.43 | 3.23* |
| [232] |
SR 48968 (Saredutant) | NK2 | 142001-63-6 | 552.5 | 3.44 | 2.45 | [233] |
SR 142.803 (Osanetant) | NK3 | 160492-56-8 | 606.62 | 6.21 | 5.24 | [237] |
SB223412 (Talnetant) | NK3 | 174636-32-9 | 382.45 | 5.8 | 4.99 | [238] |
TAK 637 | NK3 | 217185-75-6 | 573.53 | 7.03 | 7.03 | [239] |