My Cart
You have no items in your shopping cart.
ID: ALA5290004
Chembl Id: CHEMBL5290004
Max Phase: Preclinical
Molecular Formula: C27H25N7O3
Molecular Weight: 495.54
Associated Items:
Canonical SMILES: O=C1c2c(O)c(=O)c(-c3nnn[nH]3)cn2N(C2c3ccccc3CCc3ccccc32)CN1CC1CC1
Standard InChI: InChI=1S/C27H25N7O3/c35-24-21(26-28-30-31-29-26)14-33-23(25(24)36)27(37)32(13-16-9-10-16)15-34(33)22-19-7-3-1-5-17(19)11-12-18-6-2-4-8-20(18)22/h1-8,14,16,22,36H,9-13,15H2,(H,28,29,30,31)
Standard InChI Key: DCENDTNNHZZCGK-UHFFFAOYSA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
Molecule Type: | Topical: No | First In Class: No | Black Box: No |
Chirality: No | Availability: No | Prodrug: No |
Molecular Weight: 495.54 | Molecular Weight (Monoisotopic): 495.2019 | AlogP: 2.38 | #Rotatable Bonds: 4 |
Polar Surface Area: 120.24 | Molecular Species: ACID | HBA: 8 | HBD: 2 |
#RO5 Violations: ┄ | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 2.03 | CX Basic pKa: ┄ | CX LogP: 2.88 | CX LogD: 1.27 |
Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.45 | Np Likeness Score: -0.58 |
1. Taoda Y, Sato A, Toba S, Unoh Y, Kawai M, Sasaki M, Orba Y, Sawa H.. (2023) Structure-activity relationship studies of anti-bunyaviral cap-dependent endonuclease inhibitors., 83 [PMID:36758821] [10.1016/j.bmcl.2023.129175] |
Source(1):