(R)-N-(1-(3-Benzyl-7-chloro-4-oxo-3,4-dihydroquinazolin-2-yl)-2-methylpropyl)-4-methyl-N-(3-(9-(4-((4-(3-(pyridin-3-ylmethyl)thioureido)phenyl)sulfonyl)piperazin-1-yl)nonanamido)propyl)benzamide

ID: ALA5170949

Chembl Id: CHEMBL5170949

PubChem CID: 163409181

Max Phase: Preclinical

Molecular Formula: C56H68ClN9O5S2

Molecular Weight: 1046.80

Names and Identifiers

Canonical SMILES:  Cc1ccc(C(=O)N(CCCNC(=O)CCCCCCCCN2CCN(S(=O)(=O)c3ccc(NC(=S)NCc4cccnc4)cc3)CC2)[C@@H](c2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)C(C)C)cc1

Standard InChI:  InChI=1S/C56H68ClN9O5S2/c1-41(2)52(53-62-50-37-46(57)23-28-49(50)55(69)66(53)40-43-15-9-8-10-16-43)65(54(68)45-21-19-42(3)20-22-45)32-14-30-59-51(67)18-11-6-4-5-7-12-31-63-33-35-64(36-34-63)73(70,71)48-26-24-47(25-27-48)61-56(72)60-39-44-17-13-29-58-38-44/h8-10,13,15-17,19-29,37-38,41,52H,4-7,11-12,14,18,30-36,39-40H2,1-3H3,(H,59,67)(H2,60,61,72)/t52-/m1/s1

Standard InChI Key:  LZCAADBODOWVEZ-OIVUAWODSA-N

Alternative Forms

1. Parent:

   

   ALA5170949

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type:

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 1046.80

Molecular Weight (Monoisotopic): 1045.4473

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References

1. Dong G, Wu Y, Cheng J, Chen L, Liu R, Ding Y, Wu S, Ma J, Sheng C..  (2022)  Ispinesib as an Effective Warhead for the Design of Autophagosome-Tethering Chimeras: Discovery of Potent Degraders of Nicotinamide Phosphoribosyltransferase (NAMPT).,  65  (11.0): [PMID:35588495] [10.1021/acs.jmedchem.1c02001]

Source

Source(1):

• Scientific Literature