TT-232

Search structure
Synonyms:
Status: Phase 2
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: 49D4Q4254Z

Structure
InChI Key SNAJPQVDGYDQSW-DYCFWDQMSA-N
Smile C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N1)C(N)=O
InChI
InChI=1S/C45H58N10O9S2/c1-25(56)38(39(48)58)55-45(64)37-24-66-65-23-36(53-40(59)31(47)19-26-9-3-2-4-10-26)44(63)51-34(20-27-14-16-29(57)17-15-27)42(61)52-35(21-28-22-49-32-12-6-5-11-30(28)32)43(62)50-33(41(60)54-37)13-7-8-18-46/h2-6,9-12,14-17,22,25,31,33-38,49,56-57H,7-8,13,18-21,23-24,46-47H2,1H3,(H2,48,58)(H,50,62)(H,51,63)(H,52,61)(H,53,59)(H,54,60)(H,55,64)/t25-,31-,33+,34+,35-,36+,37+,38+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H58N10O9S2
Molecular Weight 947.15
AlogP -0.47
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 12.0
Number of Rotational Bond 16.0
Polar Surface Area 325.98
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 66.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Melanoma 2 D008545 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL539934
DrugBank DB12088
FDA SRS 49D4Q4254Z
PubChem 6918265
ZINC ZINC000169289417
CONTENTS