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INDIACEN B
ID: ALA2152639
Max Phase: Preclinical
Molecular Formula: C14H12ClNO
Molecular Weight: 245.71
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Indiacen B
Synonyms from Alternative Forms(1):
Canonical SMILES: CC(/C=C/c1cccc2[nH]cc(C=O)c12)=C\Cl
Standard InChI: InChI=1S/C14H12ClNO/c1-10(7-15)5-6-11-3-2-4-13-14(11)12(9-17)8-16-13/h2-9,16H,1H3/b6-5+,10-7+
Standard InChI Key: OWLBYSCPSVERBE-WEYXYWBQSA-N
Associated Targets(non-human)
Mycolicibacterium diernhoferi 48 Activities
Stutzerimonas stutzeri 32 Activities
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Chromobacterium violaceum 349 Activities
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Escherichia coli 133304 Activities
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Mucor hiemalis 184 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
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 245.71 | Molecular Weight (Monoisotopic): 245.0607 | AlogP: 4.14 | #Rotatable Bonds: 3 |
| Polar Surface Area: 32.86 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.60 | CX Basic pKa: | CX LogP: 3.61 | CX LogD: 3.61 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.64 | Np Likeness Score: 0.95 |
References
| 1. Steinmetz H, Mohr KI, Zander W, Jansen R, Gerth K, Müller R.. (2012) Indiacens A and B: prenyl indoles from the myxobacterium Sandaracinus amylolyticus., 75 (10): [PMID:23035772] [10.1021/np300288b] |
Source
Source(1):