Compound Detail
CHEMBL510139
CITRININ Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL510139 |
| Name | CITRININ |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQIUKKVOEOPUDV-IYSWYEEDSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
250.2
MW (Da)
1.72
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.81
IC50 3 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Organic anion transporter 3 CHEMBL1641348 | Ki | 4.81 | 4.81 | 15400.0 | 1 |
| Amaranthus hypochondriacus CHEMBL613799 | IC50 | 4.26 | 4.26 | 55000.0 | 1 |
| Echinochloa crus-galli CHEMBL612343 | IC50 | 4.2 | 4.2 | 63000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Organic anion transporter 3 | Ki | = | 15400.0 | nM | 4.81 | TP_TRANSPORTER: inhibition of Ochratoxin A uptake in OAT3-expressing S2 cells | 11669456 |
| Amaranthus hypochondriacus | IC50 | = | 55000.0 | nM | 4.26 | Phytotoxicity against Amaranthus hypochondriacus assessed as inhibition of radic... | 10869195 |
| Echinochloa crus-galli | IC50 | = | 63000.0 | nM | 4.2 | Phytotoxicity against Echinochloa crusgalli assessed as inhibition of radicle el... | 10869195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10869195 | 10.1021/np990534h | Calmodulin | 4 |
| 30852084 | 10.1016/j.bmcl.2019.02.028 | GroEL/GroES | 2 |
| 11669456 | 10.1016/s0024-3205(01)01296-6 | Organic anion transporter 3 | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
| 38547118 | 10.1021/acs.jnatprod.3c00765 | Colletotrichum gloeosporioides | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Cholinesterase | 1 |
| 23062825 | 10.1016/j.bmc.2012.09.040 | Acetylcholinesterase | 1 |
| 12063169 | 10.1016/s0167-4889(02)00187-8 | Solute carrier family 22 member 11 | 1 |
| 10336520 | - | Solute carrier family 22 member 6 | 1 |
| 11669456 | 10.1016/s0024-3205(01)01296-6 | Solute carrier family 22 member 6 | 1 |
| 10869195 | 10.1021/np990534h | Amaranthus hypochondriacus | 1 |
| 21761866 | 10.1021/jm200511x | KB | 1 |
| 21761866 | 10.1021/jm200511x | HCT-116 | 1 |
| 21761866 | 10.1021/jm200511x | HL-60 | 1 |
| 21571536 | 10.1016/j.bmc.2011.04.045 | Solute carrier family 22 member 6 | 1 |
| - | 10.1021/np50004a012 | Bacillus subtilis | 1 |
| - | 10.1021/np50107a012 | Agrobacterium tumefaciens | 1 |
| 18281952 | 10.1021/np0704708 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine