compound 6j [PMID: 27219676]

Ligand id: 9230

Name: compound 6j [PMID: 27219676]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 75.94
Molecular weight 492.19
XLogP 5.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Avivi-Green C, Singal M, Vogel WF. (2006)
Discoidin domain receptor 1-deficient mice are resistant to bleomycin-induced lung fibrosis.
Am. J. Respir. Crit. Care Med., 174 (4): 420-7. [PMID:16690978]
2. Leitinger B. (2014)
Discoidin domain receptor functions in physiological and pathological conditions.
Int Rev Cell Mol Biol, 310: 39-87. [PMID:24725424]
3. Li Y, Lu X, Ren X, Ding K. (2015)
Small molecule discoidin domain receptor kinase inhibitors and potential medical applications.
J. Med. Chem., 58 (8): 3287-301. [PMID:25569119]
4. Villoutreix BO, Miteva MA. (2016)
Discoidin Domains as Emerging Therapeutic Targets.
Trends Pharmacol. Sci., 37 (8): 641-659. [PMID:27372370]
5. Wang Z, Bian H, Bartual SG, Du W, Luo J, Zhao H, Zhang S, Mo C, Zhou Y, Xu Y et al.. (2016)
Structure-Based Design of Tetrahydroisoquinoline-7-carboxamides as Selective Discoidin Domain Receptor 1 (DDR1) Inhibitors.
J. Med. Chem., 59 (12): 5911-6. [PMID:27219676]