N-(9-(2-(4-(2-((2-(3-amino-4-(4-(3-(2-fluoro-5-methylphenyl)ureido)phenyl)-1H-indazol-1-yl)-2-oxoethyl)disulfanyl)acetamido)butylcarbamoyl)phenyl)-6-(diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium

ID: ALA5202015

Chembl Id: CHEMBL5202015

PubChem CID: 168291923

Max Phase: Preclinical

Molecular Formula: C57H61FN9O5S2+

Molecular Weight: 1035.30

Names and Identifiers

Canonical SMILES:  CCN(CC)c1ccc2c(-c3ccccc3C(=O)NCCCCNC(=O)CSSCC(=O)n3nc(N)c4c(-c5ccc(NC(=O)Nc6cc(C)ccc6F)cc5)cccc43)c3ccc(=[N+](CC)CC)cc-3oc2c1

Standard InChI:  InChI=1S/C57H60FN9O5S2/c1-6-65(7-2)39-24-26-44-49(32-39)72-50-33-40(66(8-3)9-4)25-27-45(50)53(44)42-15-10-11-16-43(42)56(70)61-30-13-12-29-60-51(68)34-73-74-35-52(69)67-48-18-14-17-41(54(48)55(59)64-67)37-20-22-38(23-21-37)62-57(71)63-47-31-36(5)19-28-46(47)58/h10-11,14-28,31-33H,6-9,12-13,29-30,34-35H2,1-5H3,(H5-,59,60,61,62,63,64,68,70,71)/p+1

Standard InChI Key:  WGRGYPQVSFVIEU-UHFFFAOYSA-O

Alternative Forms

1. Parent:

   

   ALA5202015

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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: 1035.30

Molecular Weight (Monoisotopic): 1034.4216

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References

1. Wang J, Si R, Zhang Q, Pan X, Zhang J..  (2022)  Tumor-microenvironmental-response Bi-functional molecules for efficient imaging and anti-tumor activity therapy.,  230  [PMID:35051748] [10.1016/j.ejmech.2022.114120]

Source

Source(1):

• Scientific Literature