General Information of the Compound
Compound ID
CP0115798
Compound Name
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
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Synonyms
(3R,6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-3,8,9-trimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
842131-33-3
BDBM50359256
CHEMBL1923502
CHEMBL1963249
D-Phenylalanine, (2S)-N-((2R)-2-(2-(3-aminopropyl)phenoxy)propyl)-2- cyclopropylglycyl-N-methyl-D-alanyl-4-fluoro-, (3-1)-lactam
D09981
DB12128
DTXSID00233139
GTPL3535
LGI67MCW2S
SCHEMBL804500
TZP 101
TZP-101
TZP101
UNII-LGI67MCW2S
Ulimorelin
Ulimorelin (USAN/INN)
Ulimorelin [USAN:INN]
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Structure
Formula
C30H39FN4O4
Molecular Weight
538.664
Canonical SMILES
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O1
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InChI
InChI=1S/C30H39FN4O4/c1-19-18-33-27(23-12-13-23)30(38)35(3)20(2)28(36)34-25(17-21-10-14-24(31)15-11-21)29(37)32-16-6-8-22-7-4-5-9-26(22)39-19/h4-5,7,9-11,14-15,19-20,23,25,27,33H,6,8,12-13,16-18H2,1-3H3,(H,32,37)(H,34,36)/t19-,20-,25-,27+/m1/s1
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InChIKey
WGYPAJVJMXQXTR-ABNZCKJZSA-N
CAS
842131-33-3
Physicochemical Property
logP
2.598
Rotatable Bonds
3
Heavy Atom Count
39
Polar Areas
99.77
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
5
Complexity
39

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11526696
SID: 136349987
ChEMBL ID
CHEMBL1963249
DrugBank ID
DB12128
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01155, Growth hormone secretagogue receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  2
1
EC50 = 1 nM
   TI
   LI
   LO
   TS
2
EC50 = 5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( TZP-101 )
Drug Name TZP-101
Company Tranzyme
Indication
Gastrointestinal disease
Phase 2b
Gastroparesis
Phase 2b
Ileus
Phase 2b
Target(s)
Growth hormone secretagogue receptor 1 (GHSR)
Agonist