| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3104748
Max Phase: Preclinical
Molecular Formula: C19H24N4
Molecular Weight: 308.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCN/C(N)=N/c1cc(C)c2[nH]c3ccccc3c2c1C
Standard InChI: InChI=1S/C19H24N4/c1-4-5-10-21-19(20)23-16-11-12(2)18-17(13(16)3)14-8-6-7-9-15(14)22-18/h6-9,11,22H,4-5,10H2,1-3H3,(H3,20,21,23)
Standard InChI Key: TXFSXPVRQSEYHX-UHFFFAOYSA-N
Associated Targets(Human)
KB 17409 Activities
Associated Targets(non-human)
DNA 1199 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 308.43 | Molecular Weight (Monoisotopic): 308.2001 | AlogP: 4.27 | #Rotatable Bonds: 4 |
| Polar Surface Area: 66.20 | Molecular Species: BASE | HBA: 1 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.48 | CX LogP: 4.32 | CX LogD: 2.79 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.38 | Np Likeness Score: -0.28 |
References
| 1. Caruso A, Sinicropi MS, Lancelot JC, El-Kashef H, Saturnino C, Aubert G, Ballandonne C, Lesnard A, Cresteil T, Dallemagne P, Rault S.. (2014) Synthesis and evaluation of cytotoxic activities of new guanidines derived from carbazoles., 24 (2): [PMID:24374274] [10.1016/j.bmcl.2013.12.047] |
Source
Source(1):