| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3356607
Max Phase: Preclinical
Molecular Formula: C24H49N11O5
Molecular Weight: 571.73
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
Standard InChI: InChI=1S/C24H49N11O5/c1-14(2)13-18(21(38)34-17(22(39)40)9-6-12-32-24(29)30)35-20(37)16(8-5-11-31-23(27)28)33-19(36)15(26)7-3-4-10-25/h14-18H,3-13,25-26H2,1-2H3,(H,33,36)(H,34,38)(H,35,37)(H,39,40)(H4,27,28,31)(H4,29,30,32)/t15-,16-,17-,18-/m0/s1
Standard InChI Key: UTSSYMGSFWYKAC-XSLAGTTESA-N
Associated Targets(Human)
Hepatocyte growth factor activator 149 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Protein | 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 |
|---|
Properties
| Molecular Weight: 571.73 | Molecular Weight (Monoisotopic): 571.3918 | AlogP: -2.45 | #Rotatable Bonds: 21 |
| Polar Surface Area: 300.44 | Molecular Species: ZWITTERION | HBA: 8 | HBD: 12 |
| #RO5 Violations: 2 | HBA (Lipinski): 16 | HBD (Lipinski): 16 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 4.07 | CX Basic pKa: 11.87 | CX LogP: -4.84 | CX LogD: -10.33 |
| Aromatic Rings: 0 | Heavy Atoms: 40 | QED Weighted: 0.04 | Np Likeness Score: 0.42 |
References
| 1. Han Z, Harris PK, Jones DE, Chugani R, Kim T, Agarwal M, Shen W, Wildman SA, Janetka JW.. (2014) Inhibitors of HGFA, Matriptase, and Hepsin Serine Proteases: A Nonkinase Strategy to Block Cell Signaling in Cancer., 5 (11): [PMID:25408834] [10.1021/ml500254r] |
Source
Source(1):