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7-[2-hydroxy-3-(5-methyltetrazol-1-yl)propoxy]-4-methyl-chromen-2-one
ID: ALA4443570
Chembl Id: CHEMBL4443570
PubChem CID: 155516684
Max Phase: Preclinical
Molecular Formula: C15H16N4O4
Molecular Weight: 316.32
Molecule Type: Unknown
Associated Items:
Names and Identifiers
Canonical SMILES: Cc1cc(=O)oc2cc(OCC(O)Cn3nnnc3C)ccc12
Standard InChI: InChI=1S/C15H16N4O4/c1-9-5-15(21)23-14-6-12(3-4-13(9)14)22-8-11(20)7-19-10(2)16-17-18-19/h3-6,11,20H,7-8H2,1-2H3
Standard InChI Key: QPPLWFLLVPCWPD-UHFFFAOYSA-N
Associated Targets(non-human)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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 |
|---|
Calculated Properties
| Molecular Weight: 316.32 | Molecular Weight (Monoisotopic): 316.1172 | AlogP: 0.84 | #Rotatable Bonds: 5 |
| Polar Surface Area: 103.27 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.88 | CX Basic pKa: | CX LogP: 0.60 | CX LogD: 0.60 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.70 | Np Likeness Score: -1.36 |
