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.
(5-Benzhydryl-3-methylthiophene-2-carbonyl)-L-arginine ID: ALA4470864
Chembl Id: CHEMBL4470864
PubChem CID: 155534696
Max Phase: Preclinical
Molecular Formula: C25H28N4O3S
Molecular Weight: 464.59
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: Cc1cc(C(c2ccccc2)c2ccccc2)sc1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Standard InChI: InChI=1S/C25H28N4O3S/c1-16-15-20(21(17-9-4-2-5-10-17)18-11-6-3-7-12-18)33-22(16)23(30)29-19(24(31)32)13-8-14-28-25(26)27/h2-7,9-12,15,19,21H,8,13-14H2,1H3,(H,29,30)(H,31,32)(H4,26,27,28)/t19-/m0/s1
Standard InChI Key: VRUNCHKXLMJQPQ-IBGZPJMESA-N
Associated Targets(Human) Associated Targets(non-human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: 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: 464.59Molecular Weight (Monoisotopic): 464.1882AlogP: 3.68#Rotatable Bonds: 10Polar Surface Area: 128.30Molecular Species: ZWITTERIONHBA: 4HBD: 5#RO5 Violations: ┄HBA (Lipinski): 7HBD (Lipinski): 6#RO5 Violations (Lipinski): 1CX Acidic pKa: 3.69CX Basic pKa: 11.97CX LogP: 2.61CX LogD: 2.61Aromatic Rings: 3Heavy Atoms: 33QED Weighted: 0.18Np Likeness Score: -0.26
References 1. Rowley JA, Reid RC, Poon EKY, Wu KC, Lim J, Lohman RJ, Hamidon JK, Yau MK, Halili MA, Durek T, Iyer A, Fairlie DP.. (2020) Potent Thiophene Antagonists of Human Complement C3a Receptor with Anti-Inflammatory Activity., 63 (2): [PMID:31910011 ] [10.1021/acs.jmedchem.9b00927 ]