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ID: ALA1507439
Max Phase: Preclinical
Molecular Formula: C18H25FN6O
Molecular Weight: 360.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1CCN(CCNC(=O)c2cn(Cc3ccccc3F)nn2)CC1
Standard InChI: InChI=1S/C18H25FN6O/c1-2-23-9-11-24(12-10-23)8-7-20-18(26)17-14-25(22-21-17)13-15-5-3-4-6-16(15)19/h3-6,14H,2,7-13H2,1H3,(H,20,26)
Standard InChI Key: FEWUWWBUFNUPFS-UHFFFAOYSA-N
Associated Targets(Human)
MCOLN3 protein 319 Activities
Importin subunit beta-1/Snurportin-1 25097 Activities
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Associated Targets(non-human)
Inositol monophosphatase 1 16203 Activities
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Ion channel NompC 277 Activities
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Plasmodium falciparum 966862 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
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Mechanisms of Action
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Properties
| Molecular Weight: 360.44 | Molecular Weight (Monoisotopic): 360.2074 | AlogP: 0.83 | #Rotatable Bonds: 7 |
| Polar Surface Area: 66.29 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.66 | CX Basic pKa: 8.07 | CX LogP: 1.57 | CX LogD: 0.82 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.79 | Np Likeness Score: -2.57 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):