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ID: ALA3422782
Max Phase: Preclinical
Molecular Formula: C24H15N3
Molecular Weight: 345.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2nc(-c3nc4ccccc4c4c3[nH]c3ccccc34)ccc2c1
Standard InChI: InChI=1S/C24H15N3/c1-4-10-18-15(7-1)13-14-21(25-18)23-24-22(16-8-2-5-11-19(16)26-23)17-9-3-6-12-20(17)27-24/h1-14,27H
Standard InChI Key: XZDAMNZCYGYLOX-UHFFFAOYSA-N
Associated Targets(Human)
A549 127892 Activities
DU-145 51482 Activities
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MCF7 126967 Activities
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HeLa 62764 Activities
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Associated Targets(non-human)
Mycobacterium sp. 32 Activities
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Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
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Properties
| Molecular Weight: 345.41 | Molecular Weight (Monoisotopic): 345.1266 | AlogP: 6.08 | #Rotatable Bonds: 1 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.61 | CX Basic pKa: 2.27 | CX LogP: 5.83 | CX LogD: 5.83 |
| Aromatic Rings: 6 | Heavy Atoms: 27 | QED Weighted: 0.39 | Np Likeness Score: -0.26 |
References
| 1. Srihari P, Padmabhavani B, Ramesh S, Bharath Kumar Y, Singh A, Ummanni R.. (2015) PMA-SiO2 catalyzed synthesis of indolo[2,3-c]quinolines as potent anti cancer agents., 25 (11): [PMID:25933593] [10.1016/j.bmcl.2015.04.018] |
Source
Source(1):