| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PICOLAMINE
ID: ALA1988272
Max Phase: Phase
Molecular Formula: C6H8N2
Molecular Weight: 108.14
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): NSC-59706
Synonyms from Alternative Forms(1):
Canonical SMILES: NCc1cccnc1
Standard InChI: InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-3,5H,4,7H2
Standard InChI Key: HDOUGSFASVGDCS-UHFFFAOYSA-N
Associated Targets(non-human)
Peripheral myelin protein 22 1279 Activities
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: Yes | 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: 108.14 | Molecular Weight (Monoisotopic): 108.0687 | AlogP: 0.54 | #Rotatable Bonds: 1 |
| Polar Surface Area: 38.91 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.95 | CX LogP: -0.12 | CX LogD: -1.67 |
| Aromatic Rings: 1 | Heavy Atoms: 8 | QED Weighted: 0.57 | Np Likeness Score: -1.02 |
References
| 1. PubChem BioAssay data set, |
| 2. USP Dictionary of USAN and International Names (2010 edition) and USAN registrations 2007-date, |
| 3. PubChem BioAssay data set, |
| 4. PubChem BioAssay data set, |
Source
Source(2):