T140 [8124]



T140


SMILES N=C(N)NCCC[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N1)C(=O)O
InChIKey IMOHHNXUCDZLKM-ADZSTZGASA-N
Sequence RRACYRKKPYRXCR
HELM PEPTIDE1{R.R.[Nal].C.Y.R.K.[dK].P.Y.R.[Cit].C.R}$PEPTIDE1,PEPTIDE1,13:R3-4:R3$$$

Chemical Properties

Hydrogen bond acceptors 27
Hydrogen bond donors 35
Rotatable bonds 47
Log P -6.083
Molecular weight (Da) 2036.1
Stereochemistry info unspecified

Database connections

Model (AF2) CXCR4 CXCR4
Ligand site mutations CXCR4

Bioactivities

Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database
Receptor Activity Source
Protein Gene Species Family Class Type Min Avg Max Database

T140


Drug properties

Molecular type Peptide
Physiological/Surrogate Surrogate
Approved drug No

Distribution across phases (no. indications)

Phase I 0
Phase II 0
Phase III 0
Phase IV 0

Database connections

Model (AF2) CXCR4 CXCR4
Ligand site mutations CXCR4

Compound is not listed as a drug.