Compound Detail
CHEMBL1255937
ANCITABINE HYDROCHLORIDE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1255937 |
| Name | ANCITABINE HYDROCHLORIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZOWNALBTMILAP-JBMRGDGGSA-N |
| Parent Compound | CHEMBL1412614 |
| Active Moiety | CHEMBL1412614 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
225.2
MW (Da)
-1.63
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.5
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.19 | 5.97 | 640.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.5 | 5.5 | 3201.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.31 | 5.31 | 4888.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.28 | 4.28 | 53111.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of B-cel... | - |
| Unchecked | IC50 | = | 1792.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3201.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 4888.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 53111.0 | nM | 4.28 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 178872 | 10.1021/jm00227a017 | L1210 | 7 |
| 178871 | 10.1021/jm00227a016 | L1210 | 7 |
| 178871 | 10.1021/jm00227a016 | Herpesviridae sp. | 1 |
| 178872 | 10.1021/jm00227a017 | Herpesviridae sp. | 1 |
| 178872 | 10.1021/jm00227a017 | Vaccinia virus | 1 |
| 178872 | 10.1021/jm00227a017 | HeLa | 1 |
| 178871 | 10.1021/jm00227a016 | unidentified influenza virus | 1 |
| 178871 | 10.1021/jm00227a016 | Mus musculus | 1 |
| 178871 | 10.1021/jm00227a016 | Measles morbillivirus | 1 |
| 178871 | 10.1021/jm00227a016 | NON-PROTEIN TARGET | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 178871 | 10.1021/jm00227a016 | Vaccinia virus | 1 |
| 178871 | 10.1021/jm00227a016 | HeLa | 1 |
| 178872 | 10.1021/jm00227a017 | unidentified influenza virus | 1 |
| 178872 | 10.1021/jm00227a017 | Measles morbillivirus | 1 |
| 178872 | 10.1021/jm00227a017 | NON-PROTEIN TARGET | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
Data from ChEMBL 36 via Core Engine