ID: ALA3754770
Chembl Id: CHEMBL3754770
PubChem CID: 85469603
Max Phase: Preclinical
Molecular Formula: C8H4Br4N2
Molecular Weight: 447.75
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1nc2c(Br)c(Br)c(Br)c(Br)c2[nH]1
Standard InChI: InChI=1S/C8H4Br4N2/c1-2-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1H3,(H,13,14)
Standard InChI Key: AVAIXFPYWYLLRM-UHFFFAOYSA-N
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| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
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| Molecular Weight: 447.75 | Molecular Weight (Monoisotopic): 443.7108 | AlogP: 4.92 | #Rotatable Bonds: 0 |
| Polar Surface Area: 28.68 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.12 | CX Basic pKa: 5.16 | CX LogP: 4.46 | CX LogD: 4.46 |
| Aromatic Rings: 2 | Heavy Atoms: 14 | QED Weighted: 0.45 | Np Likeness Score: -0.30 |
| 1. Łukowska-Chojnacka E, Wińska P, Wielechowska M, Poprzeczko M, Bretner M.. (2016) Synthesis of novel polybrominated benzimidazole derivatives-potential CK2 inhibitors with anticancer and proapoptotic activity., 24 (4): [PMID:26778657] [10.1016/j.bmc.2015.12.041] |
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