Compound Detail
CHEMBL1201384
DDCTP Enter ChEMBL ID:
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Nc1ccn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL1201384 |
| Name | DDCTP |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARLKCWCREKRROD-POYBYMJQSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
2
Known Names
Molecular Properties
451.2
MW (Da)
-0.15
ALogP
11
HBA
5
HBD
230.0
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 5.57 | 5.57 | 2700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.8 | hr | Bos taurus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 2700.0 | nM | 5.57 | Binding affinity to HIV1 reverse transcriptase | 19596885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596885 | 10.1128/aac.00392-09 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 15801860 | 10.1021/jm040101y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine