The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
L-pGlu-L-His(2,5-diiodo-1-methyl)-L-ProNH2 ID: ALA3780633
Chembl Id: CHEMBL3780633
PubChem CID: 127032878
Max Phase: Preclinical
Molecular Formula: C17H22I2N6O4
Molecular Weight: 628.21
Molecule Type: Small molecule
Associated Items:
Names and Identifiers Canonical SMILES: Cn1c(I)nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1I
Standard InChI: InChI=1S/C17H22I2N6O4/c1-24-13(18)9(23-17(24)19)7-10(22-15(28)8-4-5-12(26)21-8)16(29)25-6-2-3-11(25)14(20)27/h8,10-11H,2-7H2,1H3,(H2,20,27)(H,21,26)(H,22,28)/t8-,10-,11-/m0/s1
Standard InChI Key: MNYJRTHLXBWSPD-LSJOCFKGSA-N
Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 628.21Molecular Weight (Monoisotopic): 627.9792AlogP: -0.59#Rotatable Bonds: 6Polar Surface Area: 139.42Molecular Species: NEUTRALHBA: 6HBD: 3#RO5 Violations: 1HBA (Lipinski): 10HBD (Lipinski): 4#RO5 Violations (Lipinski): 1CX Acidic pKa: 10.53CX Basic pKa: 3.07CX LogP: -0.36CX LogD: -0.36Aromatic Rings: 1Heavy Atoms: 29QED Weighted: 0.36Np Likeness Score: -0.43
References 1. Meena CL, Thakur A, Nandekar PP, Sharma SS, Sangamwar AT, Jain R.. (2016) Synthesis and biology of ring-modified l-Histidine containing thyrotropin-releasing hormone (TRH) analogues., 111 [PMID:26854379 ] [10.1016/j.ejmech.2016.01.038 ]