ID: ALA2092757
Max Phase: Preclinical
Molecular Formula: C10H12N4O5
Molecular Weight: 268.23
Molecule Type: Small molecule
Associated Items:
ID: ALA2092757
Max Phase: Preclinical
Molecular Formula: C10H12N4O5
Molecular Weight: 268.23
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7+,10-/m1/s1
Standard InChI Key: UGQMRVRMYYASKQ-UHTZMRCNSA-N
Natural Product: Yes | 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 |
MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Molecular Weight: 268.23 | Molecular Weight (Monoisotopic): 268.0808 | AlogP: -1.86 | #Rotatable Bonds: 2 |
Polar Surface Area: 133.75 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 4 |
#RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: 11.61 | CX Basic pKa: 0.66 | CX LogP: -1.57 | CX LogD: -1.57 |
Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.50 | Np Likeness Score: 1.15 |
1. Lin TS, Cheng JC, Ishiguro K, Sartorelli AC.. (1985) Purine and 8-substituted purine arabinofuranosyl and ribofuranosyl nucleoside derivatives as potential inducers of the differentiation of the Friend erythroleukemia., 28 (10): [PMID:3862866] [10.1021/jm00148a018] |
Source(1):