药物研发进展 | 每月小分子
2020年10月更新内容中，包括德国拜耳公司，以及来自波兰、比利时、西班牙、印度等地公司的潜力小分子。
BAY 1214784
SMILES：
ClC1=C(CNC(C2=CC=C(N(S(=O)(C3=C-C=C(F)C=C3)=O)[C@@H](C4CC4)C56CCS(CC6)(=O)=O)C5=C2)=O)N=CC(C(F)(F)F)=C1
描述：
oral hGnRH-R hormone receptor antagonistto treat of uterine fibroids, Ph. I completedfrom cell-based 2.5M cmpdHTS + opt.
J. Med. Chem., Oct. 22, 2020 issue
Bayer AG, Berlin, DE
BAY 1217224
SMILES：
COC1=C2C(N=C(N[C@H](CF)C3=CC(Cl)=CC=C3)O2)=CC(C(N4C[C@H](C)OC[C@@H]4CCO)=O)=C1
描述：
Oral non-prodrug thrombin (FIIa) inhibitor to treat thrombosis, oral bioavailability in HV from internal library HTS, SBDD, opt. vs. PXR
J. Med. Chem., Oct. 27, 2020
Bayer AG, Wuppertal, DE
CC-90011
SMILES：
COC1=CC=C(C2=C(C3=CC(F)=C(C#N)C=C3)N=C(N4CCC(N)CC4)N(C)C2=O)C=C1F
描述：
Selective, reversible LSD1 inhibitor <100 mg orally QW, in Ph. II for 1L ES-SCLC from 300k+ cmpdHTS, SBDD + opt.
J. Med. Chem., Oct. 9, 2020
Celgene/Bristol Myers Squibb, San Diego, CA
LEO 39652
SMILES：
O=C(OCC(C)C)C1(CC1)C2=NN3C(C4=CC=C(C(OC5)=O)C5=C4)=CC=C(OC)C3=N2
描述：
“Dual-soft” topical PDE4 inhibitor soft drug to treat atopic dermatitis, lack of PD in Ph. I from metab. opt. of prev. discont. candidate
J. Med. Chem., Oct. 15, 2020
LEO Pharma, Ballerup, DK
OATD-01
SMILES：
C[C@H]1CN(C2CCN(C3=NNC(N)=N3)CC2)[C@@H](CC4=CC=C(Cl)C=C4)CO1
描述：
Oral, first -in-class CHIT1/AMCase chitinase inh. for sarcoidosis/lung fbrosis, Ph. Ib complete from opt. of literature molecule
J. Med. Chem., Oct. 20, 2020
OncoArendi Therapeutics SA, Warsaw, PL
AG-636
SMILES：
O=C(O)C1=CC(C2=CC=C(C3=CC=CC=C3C)C=C2)=CC4=C1N(C)N=N4
描述：
Dihydroorotate dehydrogenase inhibitor in Ph. I for RR -lymphoma from opt. of literature molecule
Mol. Cancer Ther., Oct. 20, 2020
Agios Pharmaceuticals, Cambridge, MA
'compound 46'
SMILES：
FC(F)C1=NC2=NC=NN2C([C@@H]3CN(C4=NC=CC(C5=CC=CC=C5)=C4)CC[C@H]3C)=C1
描述：
Oral sel. PDE2A phosphodiesterase inhibitor for cognition, target engagement in brain from HTS, SBDD, and FEP calculations.
J. Med. Chem., Oct. 26, 2020
Janssen Pharmaceutica NV, Beerse, BE
'compound 25'
SMILES：
O=C(NC1=C(F)C(NS(=O)(C2=CC=CC=C2Cl)=O)=CC=C1Cl)C3=CSC4=C3N=CN=C4N[C@@H]5CC[C@@H](N)CC5
描述：
IRE1α kinase-binding endonuclease inhibitor unfolded prot. response disruption for MM from kinase library screen and SBDD.
ACS Med. Chem. Lett, Oct. 16, 2020
Genentech, So. San Francisco, CA / Paraza, QC
'lipid 10a'
SMILES：
O=C(SCCN(C)C)N(CCCCCCCC(OC/C=C\CCCCCC)=O)CCCCCCCC(OC/C=C\CCCCCC)=O
描述：
Property-tunable lipid for RNA drug delivery for lipid nanoparticle delivery of mRNA/siRNA from empirical optimization of siRNA activity.
J. Med. Chem., Oct. 29, 2020
Arcturus Therapeutics, San Diego, CA
BAY-6672
SMILES：
BrC1=CC=C(N=C(N2CCCC2)C(C)=C3C(NC[C@H](CCC(O)=O)C4=CC=CC=C4Cl)=O)C3=C1
描述：
Oral prostaglandin F receptor GCPR antagonist to treat IPF, in vivo efficacy in fibrosis model from ~3M cmpdcell-based HTS and opt.
J. Med. Chem., Oct. 22, 2020 issue
Bayer AG, Wuppertal, DE
'compound 27'
SMILES：
O=C(N)C1=CC(-Cl)=C2C(N([C@H]([C@@]3(F)CNCC3)C)C=C2C)=N1
描述：
Potent pan-PIM kinase inhibitor oral PD and efficacy in xenograft model from SBDD of prior lead.
Bioorg. Med. Chem. Lett., Oct. 14, 2020
Sano, Waltham/Cambridge, MA
'EST73502'
SMILES：
FC1=CC=C(F)C=C1CCN(CC2)CCC2(O[C@@H]3C)CN(CC)C3=O
描述：
Dual μ-opioid receptor agonist,antagonist oral analgesia w/ reduced opioid AEs, in Ph. I from literature cmpdpharmacophore merging
J. Med. Chem., Oct. 16, 2020
ESTEVE Pharmaceuticals SA, Barcelona, ES
CG428
SMILES：
FC1=CC=CC([C@@H](CCC2)N2C(C=C3)=NN4C3=NC=C4C5=CC=CC(N6CCN(C(CCOCCNC7=C(C(N(C8C(NC(CC8)=O)=O)C9=O)=O)C9=CC=C7)=O)CC6)=N5)=C1
描述：
CRBN-based TRK kinase fusion prot. Degrader degrad. of mult. TRK fusions (e.g. TPM3 -TRKA) from functionalization of lit. TRK inhibitor.
J. Med. Chem., Oct. 15, 2020
CullgenInc., San Diego, CA / Shanghai, CN
'compound 34'
SMILES：
O=C1NC(C2=C[C@H](N3CCN(C4=CC=C(C#N)C=C4)CC3)CC2)=CC5=NC=CC=C51
描述：
Oral PARP1-selective polymerase inhibitor oral efficacy in BRCA1 mutant xenograft from scaffold hopping from lit. PARP1/2 inh.
Bioorg. Med. Chem., Oct. 6, 2020
Lupin Ltd., Pune, IN
作者简介：
内容转自drug-hunter.com，该网站由Dennis X. Hu博士创建。Dennis是一位药物发现科学家，在大型制药和生物技术公司有多年工作经验。他在斯坦福大学获得化学博士学位，在剑桥大学获得哲学硕士学位，在西北大学获得学士和硕士学位。