Detailed information for compound 305630

Basic information

Technical information
  • TDR Targets ID: 305630
  • Name: (3-aminoacridin-4-yl)methanol
  • MW: 224.258 | Formula: C14H12N2O
  • H donors: 2 H acceptors: 2 LogP: 2.51 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCc1c(N)ccc2c1nc1ccccc1c2
  • InChi: 1S/C14H12N2O/c15-12-6-5-10-7-9-3-1-2-4-13(9)16-14(10)11(12)8-17/h1-7,17H,8,15H2
  • InChiKey: VIGUTMAIGWMVBQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (3-amino-4-acridinyl)methanol
  • (3-azanylacridin-4-yl)methanol

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Treponema pallidum DNA polymerase I (polA) 0.011 0.0126 0.5
Brugia malayi Telomerase reverse transcriptase 0.4194 0.725 0.5
Mycobacterium leprae PROBABLE DNA POLYMERASE I POLA 0.011 0.0126 0.5
Plasmodium falciparum telomerase reverse transcriptase 0.1576 0.2683 1
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1576 0.2683 1
Chlamydia trachomatis DNA polymerase I 0.011 0.0126 0.5
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1576 0.2683 1
Mycobacterium tuberculosis Probable DNA polymerase I PolA 0.011 0.0126 1
Leishmania major telomerase reverse transcriptase, putative 0.1576 0.2683 1
Wolbachia endosymbiont of Brugia malayi DNA polymerase I 0.011 0.0126 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.1576 0.2683 1
Mycobacterium ulcerans DNA polymerase I 0.011 0.0126 1
Toxoplasma gondii RNA-directed DNA polymerase 0.1576 0.2683 1
Giardia lamblia Telomerase catalytic subunit 0.1576 0.2683 0.5
Trypanosoma brucei telomerase reverse transcriptase 0.1576 0.2683 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Antiproliferative activity against L1210 cell line ChEMBL. 16442795
Activity (functional) = 0.1 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.1 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 0.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.25 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 0.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.05 uM after 48 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 3.2 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.05 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 4.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.1 uM after 48 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 5.2 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 1 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 9.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.5 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 13.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 2.5 uM after 24 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 18.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.25 uM after 48 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 23.4 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 2.5 uM after 48 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 26.3 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 0.5 uM after 48 hrs by flow cytometry ChEMBL. 19640614
Activity (functional) = 31.7 % Cell cycle arrest in human HT-29 cells assessed as accumulation at sub-G1 phase at 1 uM after 48 hrs by flow cytometry ChEMBL. 19640614
IC50 (functional) 0 Antiproliferative activity against V79 cell line ChEMBL. 16442795
IC50 (functional) = 34 nM Antiproliferative activity against human HT-29 cells after 3 days by MTT assay ChEMBL. 19640614
IC50 (functional) = 60 nM Antiproliferative activity against human A549 cells after 3 days by MTT assay ChEMBL. 19640614
IC50 (functional) = 70 nM Antiproliferative activity against human HeLa cells after 3 days by MTT assay ChEMBL. 19640614
IC50 (functional) = 0.005 uM In vitro cytotoxicity against A549 (human lung carcinoma) cell line. ChEMBL. 12620073
IC50 (functional) = 0.005 uM Antiproliferative activity against A549 cell line ChEMBL. 16442795
IC50 (functional) = 0.005 uM In vitro cytotoxicity against A549 (human lung carcinoma) cell line. ChEMBL. 12620073
IC50 (functional) = 0.005 uM Antiproliferative activity against A549 cell line ChEMBL. 16442795
IC50 (functional) = 0.02 uM In vitro cytotoxic against L1210 (murine leukaemia) cell line. ChEMBL. 12620073
IC50 (functional) = 0.02 uM In vitro cytotoxic against L1210 (murine leukaemia) cell line. ChEMBL. 12620073
IC50 (functional) = 0.025 uM In vitro cytotoxicity against HT-29 (human colon cancer) cell line. ChEMBL. 12620073
IC50 (functional) = 0.025 uM Antiproliferative activity against HT29 cell line ChEMBL. 16442795
IC50 (functional) = 0.025 uM Cytotoxicity against HT29 cell line ChEMBL. 16777412
IC50 (functional) = 0.025 uM In vitro cytotoxicity against HT-29 (human colon cancer) cell line. ChEMBL. 12620073
IC50 (functional) = 0.025 uM Antiproliferative activity against HT29 cell line ChEMBL. 16442795
IC50 (functional) = 0.025 uM Cytotoxicity against HT29 cell line ChEMBL. 16777412
logP (ADMET) = 1.77 Partition coefficient (logP) ChEMBL. 12620073

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 12620073
Mus musculus ChEMBL23 12620073

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

3 literature references were collected for this gene.

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