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ID: ALA4537967
Max Phase: Preclinical
Molecular Formula: C19H19FN2
Molecular Weight: 294.37
Molecule Type: Unknown
Associated Items:
ID: ALA4537967
Max Phase: Preclinical
Molecular Formula: C19H19FN2
Molecular Weight: 294.37
Molecule Type: Unknown
Associated Items:
Canonical SMILES: Cc1cc(-c2cnc3ccn(CC4CCC4)c3c2)ccc1F
Standard InChI: InChI=1S/C19H19FN2/c1-13-9-15(5-6-17(13)20)16-10-19-18(21-11-16)7-8-22(19)12-14-3-2-4-14/h5-11,14H,2-4,12H2,1H3
Standard InChI Key: MTXPFYDPXWYSJL-UHFFFAOYSA-N
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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 |
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: 294.37 | Molecular Weight (Monoisotopic): 294.1532 | AlogP: 4.95 | #Rotatable Bonds: 3 |
Polar Surface Area: 17.82 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
#RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
CX Acidic pKa: | CX Basic pKa: 4.30 | CX LogP: 4.99 | CX LogD: 4.99 |
Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.67 | Np Likeness Score: -1.51 |
1. Chrovian CC, Soyode-Johnson A, Wall JL, Rech JC, Schoellerman J, Lord B, Coe KJ, Carruthers NI, Nguyen L, Jiang X, Koudriakova T, Balana B, Letavic MA.. (2019) 1H-Pyrrolo[3,2-b]pyridine GluN2B-Selective Negative Allosteric Modulators., 10 (3): [PMID:30891123] [10.1021/acsmedchemlett.8b00542] |
Source(1):