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ID: ALA1231750
Max Phase: Preclinical
Molecular Formula: C3H2F6O
Molecular Weight: 168.04
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Hexafluoro-2-Propanol
Synonyms from Alternative Forms(1):
Canonical SMILES: OC(C(F)(F)F)C(F)(F)F
Standard InChI: InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
Standard InChI Key: BYEAHWXPCBROCE-UHFFFAOYSA-N
Associated Targets(Human)
UDP-glucuronosyltransferase 1-1 448 Activities
UDP-glucuronosyltransferase 1-10 257 Activities
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UDP-glucuronosyltransferase 1-3 217 Activities
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UDP-glucuronosyltransferase 1A4 288 Activities
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UDP-glucuronosyltransferase 1-8 233 Activities
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UDP-glucuronosyltransferase 2B15 172 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
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 168.04 | Molecular Weight (Monoisotopic): 168.0010 | AlogP: 1.47 | #Rotatable Bonds: 0 |
| Polar Surface Area: 20.23 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.97 | CX Basic pKa: | CX LogP: 1.45 | CX LogD: 1.35 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.54 | Np Likeness Score: -0.22 |
References
| 1. Tukey RH, Strassburg CP.. (2000) Human UDP-glucuronosyltransferases: metabolism, expression, and disease., 40 (1): [PMID:10836148] [10.1146/annurev.pharmtox.40.1.581] |
Source
Source(1):