ID: ALA164497
Chembl Id: CHEMBL164497
PubChem CID: 19025838
Max Phase: Preclinical
Molecular Formula: C9H11Cl2NO2S
Molecular Weight: 268.17
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C(O)c1cc(N(CCCl)CCCl)cs1
Standard InChI: InChI=1S/C9H11Cl2NO2S/c10-1-3-12(4-2-11)7-5-8(9(13)14)15-6-7/h5-6H,1-4H2,(H,13,14)
Standard InChI Key: UEUSXSWSBNSWNO-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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 268.17 | Molecular Weight (Monoisotopic): 266.9888 | AlogP: 2.73 | #Rotatable Bonds: 6 |
| Polar Surface Area: 40.54 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.08 | CX Basic pKa: ┄ | CX LogP: 2.98 | CX LogD: -0.13 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.81 | Np Likeness Score: -0.71 |
| 1. Arcamone FM, Animati F, Barbieri B, Configliacchi E, D'Alessio R, Geroni C, Giuliani FC, Lazzari E, Menozzi M, Mongelli N.. (1989) Synthesis, DNA-binding properties, and antitumor activity of novel distamycin derivatives., 32 (4): [PMID:2590277] [10.1021/jm00124a008] |
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