ID: ALA3644344
Chembl Id: CHEMBL3644344
PubChem CID: 88590628
Max Phase: Preclinical
Molecular Formula: C50H69N17O10
Molecular Weight: 1068.21
Molecule Type: Protein
Associated Items:
Canonical SMILES: CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H]1CCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]cn2)NC1=O
Standard InChI: InChI=1S/C50H69N17O10/c1-28(68)61-34(14-8-20-57-49(51)52)42(70)62-35-15-7-19-56-41(69)18-17-37(48(76)77)64-46(74)39(23-30-25-59-33-13-6-5-12-32(30)33)66-43(71)36(16-9-21-58-50(53)54)63-45(73)38(22-29-10-3-2-4-11-29)65-47(75)40(67-44(35)72)24-31-26-55-27-60-31/h2-6,10-13,25-27,34-40,59H,7-9,14-24H2,1H3,(H,55,60)(H,56,69)(H,61,68)(H,62,70)(H,63,73)(H,64,74)(H,65,75)(H,66,71)(H,67,72)(H,76,77)(H4,51,52,57)(H4,53,54,58)/t34-,35+,36+,37+,38-,39+,40+/m1/s1
Standard InChI Key: JOCBRCXSAIEQRJ-QNWIHAEASA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 1068.21 | Molecular Weight (Monoisotopic): 1067.5413 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
| 1. (2014) Melanocortin receptor-specific peptides, |
Source(1):
