| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2371371
Max Phase: Preclinical
Molecular Formula: C19H38N4O5S
Molecular Weight: 434.60
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)N[C@H](C(=O)N[C@@H](CCO)C(=O)O)[C@@H](C)CC
Standard InChI: InChI=1S/C19H38N4O5S/c1-5-11(3)15(21-9-13(20)10-29)17(25)23-16(12(4)6-2)18(26)22-14(7-8-24)19(27)28/h11-16,21,24,29H,5-10,20H2,1-4H3,(H,22,26)(H,23,25)(H,27,28)/t11-,12-,13+,14-,15-,16-/m0/s1
Standard InChI Key: NJTSSBCQLOFUHQ-IATJYDTKSA-N
Associated Targets(non-human)
Protein farnesyltransferase 552 Activities
Geranylgeranyl transferase type I 226 Activities
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NIH3T3 5395 Activities
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Protein farnesyltransferase 298 Activities
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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 |
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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: 434.60 | Molecular Weight (Monoisotopic): 434.2563 | AlogP: -0.27 | #Rotatable Bonds: 15 |
| Polar Surface Area: 153.78 | Molecular Species: ZWITTERION | HBA: 7 | HBD: 7 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.75 | CX Basic pKa: 9.01 | CX LogP: -2.24 | CX LogD: -2.25 |
| Aromatic Rings: 0 | Heavy Atoms: 29 | QED Weighted: 0.18 | Np Likeness Score: 0.36 |
References
| 1. Graham SL, deSolms SJ, Giuliani EA, Kohl NE, Mosser SD, Oliff AI, Pompliano DL, Rands E, Breslin MJ, Deana AA.. (1994) Pseudopeptide inhibitors of Ras farnesyl-protein transferase., 37 (6): [PMID:8145221] [10.1021/jm00032a004] |
Source
Source(1):