ICOA-13 [4060]
ICOA-13
| SMILES | CC[N+]1=C(/C=C/C=C2/N(CCCCCC(=O)NCCn3cc(CCNC(C)=O)c4nc(OC)ccc43)c3ccc(S(=O)(=O)[O-])cc3C2(C)C)C(C)(C)c2cc(S(=O)(=O)O)ccc21 |
| InChIKey | UCZXUWQDKMFXCJ-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 11 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 18 |
| Log P | 5.885 |
| Molecular weight (Da) | 888.4 |
| 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 |
ICOA-13
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0