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Compound Detail

CHEMBL224248

QUINDOLINE
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c1ccc2nc3c(cc2c1)[nH]c1ccccc13
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224248
Name QUINDOLINE
Phase Preclinical
Structure Type MOL
InChI Key QOAKRWLMTKEDDL-UHFFFAOYSA-N
8
Targets
16
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

218.3
MW (Da)
3.87
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H10N2
MW 218.26
Aromatic Rings 4
Heavy Atoms 17
NP-Likeness -0.24

Activity Summary

IC50 16 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 5.06 4.7367 8700.0 3
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.81 4.558 15500.0 5
CH1
CHEMBL614455
 IC50 4.81 4.665 15500.0 2
A2780
CHEMBL614004
 IC50 4.67 4.64 21500.0 2
Plasmodium falciparum
CHEMBL364
 IC50 4.44 4.44 36200.0 1
ADMET
CHEMBL612558
 IC50 4.35 4.35 45000.0 1
L6
CHEMBL614793
 IC50 4.31 4.31 48600.0 1
SK-OV-3
CHEMBL614925
 IC50 4.18 4.18 66000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 8700.0 nM 5.06 Antitrypanosomal activity against Trypanosoma cruzi epimastigotes 11300877
Trypanosoma cruzi IC50 = 14200.0 nM 4.85 Antitrypanosomal activity against Trypanosoma cruzi amastigotes 11300877
NON-PROTEIN TARGET IC50 = 15500.0 nM 4.81 Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI 10999471
CH1 IC50 = 15500.0 nM 4.81 Cytotoxicity against human CH1 cells assessed as cell growth inhibition 34710743
NON-PROTEIN TARGET IC50 = 21500.0 nM 4.67 Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780 10999471
A2780 IC50 = 21500.0 nM 4.67 Cytotoxicity against human A2780 cells assessed as cell growth inhibition 34710743
NON-PROTEIN TARGET IC50 = 24500.0 nM 4.61 Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780R... 10999471
A2780 IC50 = 24500.0 nM 4.61 Cytotoxicity against drug resistant human A2780 cells assessed as cell growth in... 34710743
NON-PROTEIN TARGET IC50 = 30000.0 nM 4.52 Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI R 10999471
CH1 IC50 = 30000.0 nM 4.52 Cytotoxicity against drug resistant human CH1 cells assessed as cell growth inhi... 34710743
Plasmodium falciparum IC50 = 36200.0 nM 4.44 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 11300877
ADMET IC50 = 45000.0 nM 4.35 In vitro cell survival assay on cancer KB cell lines 11300877
L6 IC50 = 48600.0 nM 4.31 In vitro cytotoxicity against L6 cells 11300877
Trypanosoma cruzi IC50 = 50000.0 nM 4.3 Antitrypanosomal activity against (Trypanosoma cruzi) trypomastigotes (concentra... 11300877
NON-PROTEIN TARGET IC50 = 66000.0 nM 4.18 Compound was evaluated for cytotoxicity against human ovarian cancer cell SKOV-3 10999471
SK-OV-3 IC50 = 66000.0 nM 4.18 Cytotoxicity against human SK-OV-3 cells assessed as cell growth inhibition 34710743

Literature References

PubMed DOI Target Context # Activities
10999471 10.1016/s0960-894x(00)00378-4 NON-PROTEIN TARGET 5
11300877 10.1021/jm0010419 Trypanosoma cruzi 4
9249972 10.1021/np9605246 Plasmodium falciparum 3
34710743 10.1016/j.ejmech.2021.113938 CH1 2
11300877 10.1021/jm0010419 Plasmodium falciparum 2
34710743 10.1016/j.ejmech.2021.113938 A2780 2
34710743 10.1016/j.ejmech.2021.113938 Telomerase reverse transcriptase 1
11543688 10.1021/jm010929+ Plasmodium falciparum 1
34710743 10.1016/j.ejmech.2021.113938 SK-OV-3 1
34710743 10.1016/j.ejmech.2021.113938 No relevant target 1
34710743 10.1016/j.ejmech.2021.113938 Plasmodium falciparum 1
10425120 10.1021/np990035g Saccharomyces cerevisiae 1
9249972 10.1021/np9605246 Plasmodium berghei 1
9249972 10.1021/np9605246 Plasmodium yoelii 1
16279791 10.1021/jm050041b Unchecked 1
16279791 10.1021/jm050041b No relevant target 1
10999471 10.1016/s0960-894x(00)00378-4 Telomerase reverse transcriptase 1
11300877 10.1021/jm0010419 L6 1
11300877 10.1021/jm0010419 ADMET 1
11543688 10.1021/jm010929+ Histidine-rich protein PFHRP-II 1

Data from ChEMBL 36 via Core Engine