CCK-33 (Human) [1690]
CCK-33 (Human)
| SMILES | CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CO)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(N)CCCCN)C(C)CC)C(C)C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CCSC)C(=O)NCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccccc1)C(N)=O)c1ccc(OS(=O)(=O)O)cc1 |
| InChIKey | QFLBZJPOIZFFJQ-UHFFFAOYSA-N |
| Sequence | KAPSGRMSIVKNLQNLDPSHRISDRDYMGWMDF |
| HELM | PEPTIDE1{(K,[dK]).(A,[dA]).(P,[dP]).(S,[dS]).G.(R,[dR]).(M,[dM]).(S,[dS]).[*C(=O)C(C(C)CC)N* |$_R2;;;;;;;;;_R1$|].(V,[dV]).(K,[dK]).(N,[dN]).(L,[dL]).(Q,[dQ]).(N,[dN]).(L,[dL]).(D,[dD]).(P,[dP]).(S,[dS]).(H,[dH]).(R,[dR]).[*C(=O)C(C(C)CC)N* |$_R2;;;;;;;;;_R1$|].(S,[dS]).(D,[dD]).(R,[dR]).(D,[dD]).[*C(=O)C(c1ccc(cc1)OS(=O)(=O)O)N* |$_R2;;;;;;;;;;;;;;;;_R1$|].(M,[dM]).G.(W,[dW]).(M,[dM]).(D,[dD]).(F,[dF]).[am]}$$$$V2.0 |
Chemical Properties
| Hydrogen bond acceptors | 57 |
| Hydrogen bond donors | 57 |
| Rotatable bonds | 129 |
| Log P | -17.874 |
| Molecular weight (Da) | 3928.8 |
| Stereochemistry info | unspecified |
Database connections
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 |
CCK-33 (Human)
Drug properties
| Molecular type | Peptide |
| Physiological/Surrogate | Endogenous |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0