ID: ALA1402992
Chembl Id: CHEMBL1402992
Cas Number: 894002-63-2
PubChem CID: 16194724
Max Phase: Preclinical
Molecular Formula: C24H25N3O3
Molecular Weight: 403.48
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCN(CC)C(=O)Cn1cc(C(=O)C(=O)N2CCc3ccccc32)c2ccccc21
Standard InChI: InChI=1S/C24H25N3O3/c1-3-25(4-2)22(28)16-26-15-19(18-10-6-8-12-21(18)26)23(29)24(30)27-14-13-17-9-5-7-11-20(17)27/h5-12,15H,3-4,13-14,16H2,1-2H3
Standard InChI Key: CHMGMFPHXXQJBB-UHFFFAOYSA-N
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| 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 |
| 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: 403.48 | Molecular Weight (Monoisotopic): 403.1896 | AlogP: 3.28 | #Rotatable Bonds: 6 |
| Polar Surface Area: 62.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.98 | CX LogD: 2.98 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.47 | Np Likeness Score: -1.58 |
| 1. PubChem BioAssay data set, |
Source(1):
