Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL214920

TIOCARLIDE
🧪 Phase II
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
🧪 Phase II
CC(C)CCOc1ccc(NC(=S)Nc2ccc(OCCC(C)C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL214920
Name TIOCARLIDE
Phase Phase II
Structure Type MOL
InChI Key BWBONKHPVHMQHE-UHFFFAOYSA-N

Known Names

DAT-C DATC Isoxyl NSC-742400 Tiocarlida Tiocarlide
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

400.6
MW (Da)
6.35
ALogP
3
HBA
2
HBD
42.5
PSA (Ų)
0.46
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C23H32N2O2S
MW 400.59
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.84

Indications

Tuberculosis

ATC Classification

J04AD02
tiocarlide
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIMYCOBACTERIALS

Activity Summary

IC50 1 meas. best 7.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hydrolase, alpha/beta hydrolase fold family
CHEMBL1795156
 IC50 7.66 7.66 22.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Hydrolase, alpha/beta hydrolase fold family IC50 = 22.0 nM 7.66 Inhibition of Mycobacterium tuberculosis recombinant EphE expressed in Escherich... 21840723

Literature References

PubMed DOI Target Context # Activities
17785510 10.1128/aac.00433-07 Mycobacterium tuberculosis 14
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
17785510 10.1128/aac.00433-07 Unchecked 10
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17220416 10.1128/aac.01063-06 Mycobacterium tuberculosis 5
17785510 10.1128/aac.00433-07 Mycobacterium tuberculosis variant bovis 4
16875817 10.1016/j.bmcl.2006.06.095 Mycobacterium tuberculosis 3
17583388 10.1016/j.ejmech.2007.04.010 Mycobacterium tuberculosis 2
17220416 10.1128/aac.01063-06 NON-PROTEIN TARGET 2
27750200 10.1016/j.ejmech.2016.09.083 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
21840723 10.1016/j.bmc.2011.07.034 Escherichia coli 2
18362068 10.1016/j.bmcl.2008.03.033 Mycobacterium tuberculosis 1
17583388 10.1016/j.ejmech.2007.04.010 Mycobacterium avium 1
17583388 10.1016/j.ejmech.2007.04.010 Mycolicibacterium aurum 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] A 1
18834112 10.1021/jm800656v Amine oxidase [flavin-containing] B 1
17220416 10.1128/aac.01063-06 ADMET 1
17220416 10.1128/aac.01063-06 Mycobacterium tuberculosis variant bovis BCG 1
21840219 10.1016/j.bmc.2011.07.035 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine