Gly-Asn-Leu-Trp-Ala-Thr-Gly-His-Phe-Met-NH2 (Neuromedin B)

ID: ALA403317

Chembl Id: CHEMBL403317

Cas Number: 87096-84-2

PubChem CID: 6324606

Product Number: N118979

Max Phase: Preclinical

Molecular Formula: C52H73N15O12S

Molecular Weight: 1132.32

Molecule Type: Protein

Names and Identifiers

Canonical SMILES:  CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)CN)[C@@H](C)O)C(N)=O

Standard InChI:  InChI=1S/C52H73N15O12S/c1-27(2)17-36(64-51(78)40(21-41(54)69)61-42(70)22-53)48(75)66-38(19-31-23-57-34-14-10-9-13-33(31)34)47(74)60-28(3)46(73)67-44(29(4)68)52(79)58-25-43(71)62-39(20-32-24-56-26-59-32)50(77)65-37(18-30-11-7-6-8-12-30)49(76)63-35(45(55)72)15-16-80-5/h6-14,23-24,26-29,35-40,44,57,68H,15-22,25,53H2,1-5H3,(H2,54,69)(H2,55,72)(H,56,59)(H,58,79)(H,60,74)(H,61,70)(H,62,71)(H,63,76)(H,64,78)(H,65,77)(H,66,75)(H,67,73)/t28-,29+,35-,36-,37-,38-,39-,40-,44-/m0/s1

Standard InChI Key:  YPFNACALNKVZNK-MFNIMNRCSA-N

Alternative Forms

1. Parent:

   

   ALA403317

   Neuromedin B

Molecule Features

Natural Product: Yes

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Protein

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1132.32

Molecular Weight (Monoisotopic): 1131.5284

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References

1. Weber D, Berger C, Eickelmann P, Antel J, Kessler H..  (2003)  Design of selective peptidomimetic agonists for the human orphan receptor BRS-3.,  46  (10): [PMID:12723954] [10.1021/jm0210921]

2. Ashwood V, Brownhill V, Higginbottom M, Horwell DC, Hughes J, Lewthwaite RA, McKnight AT, Pinnock RD, Pritchard MC, Suman-Chauhan N, Webb C, Williams SC..  (1998)  PD 176252--the first high affinity non-peptide gastrin-releasing peptide (BB2) receptor antagonist.,  8  (18): [PMID:9873586] [10.1016/s0960-894x(98)00462-4]

3. PubChem BioAssay data set, 

4.  (2011)  Gastrin releasing peptide compounds, 

Source

Source(3):

• Scientific Literature
• PubChem BioAssays
• Patent Bioactivity Data