| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA467972
Max Phase: Preclinical
Molecular Formula: C26H23N5
Molecular Weight: 405.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1
Standard InChI: InChI=1S/C26H23N5/c1-2-4-25-23(3-1)22(11-12-28-25)24-17-29-31-18-20(7-10-26(24)31)19-5-8-21(9-6-19)30-15-13-27-14-16-30/h1-12,17-18,27H,13-16H2
Standard InChI Key: HMVOWZJWAKWRRX-UHFFFAOYSA-N
Associated Targets(Human)
Bone morphogenetic protein 4 33 Activities
Molecule Features
| 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 |
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: 405.51 | Molecular Weight (Monoisotopic): 405.1953 | AlogP: 4.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 45.46 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.88 | CX LogP: 4.53 | CX LogD: 3.04 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.48 | Np Likeness Score: -1.01 |
References
| 1. Cuny GD, Yu PB, Laha JK, Xing X, Liu JF, Lai CS, Deng DY, Sachidanandan C, Bloch KD, Peterson RT.. (2008) Structure-activity relationship study of bone morphogenetic protein (BMP) signaling inhibitors., 18 (15): [PMID:18621530] [10.1016/j.bmcl.2008.06.052] |
Source
Source(1):