Compound Detail
CHEMBL1200512
IRINOTECAN HYDROCHLORIDE HYDRATE Enter ChEMBL ID:
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CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
586.7
MW (Da)
4.09
ALogP
9
HBA
1
HBD
114.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.55
IC50 3 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BJ CHEMBL614358 | EC50 | 6.55 | 5.605 | 284.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 5.97 | 5.97 | 1060.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.88 | 5.88 | 1315.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.48 | 4.48 | 32842.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.38 | 4.38 | 41996.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BJ | EC50 | = | 284.0 | nM | 6.55 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| BJ | EC50 | = | 764.0 | nM | 6.12 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | IC50 | = | 1060.0 | nM | 5.97 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 1315.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| BJ | EC50 | = | 4244.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 32842.0 | nM | 4.48 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 41342.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Tegument protein VP16 | IC50 | = | 41996.0 | nM | 4.38 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Data from ChEMBL 36 via Core Engine