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]