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Compound Detail

CHEMBL3298910

TELACEBEC
🧪 Phase II
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🧪 Phase II
CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(N2CCC(c3ccc(OC(F)(F)F)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3298910
Name TELACEBEC
Phase Phase II
Structure Type MOL
InChI Key OJICYBSWSZGRFB-UHFFFAOYSA-N

Known Names

Q-203 Q203 Telacebec
2
Targets
2
Activities
1
Assay Types
25
PK Parameters
20
Publications
3
Known Names
3
Indications

Molecular Properties

557.0
MW (Da)
6.76
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -cebec
USAN Year 2017

Extended Properties

Molecular Formula C29H28ClF3N4O2
MW 557.02
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.61

Indications

Buruli Ulcer Severe Acute Respiratory Syndrome Tuberculosis

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mycobacterium tuberculosis
CHEMBL360
 IC50 7.0 7.0 100.0 1
Unchecked
CHEMBL612545
 IC50 5.21 5.21 6200.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 44100.0 ng.hr.mL-1 Mus musculus
AUC 44100.0 ng.hr.mL-1 Mus musculus
AUC 46637.0 ng.hr.mL-1 Mus musculus
AUC 46637.0 ng.hr.mL-1 Mus musculus
CL 4.0 mL.min-1.kg-1 Mus musculus
CL 4.0 mL.min-1.kg-1 Mus musculus
Cmax 2674.95 nM Mus musculus
Cmax 2674.95 nM Mus musculus
Cmax 6777.14 nM Mus musculus
Cmax 6777.14 nM Mus musculus
F 90.7 % Mus musculus
F 90.7 % Mus musculus
F 90.0 % Mus musculus
T1/2 2.0 hr Homo sapiens
T1/2 2.0 hr Mus musculus
T1/2 16.5 hr Mus musculus
T1/2 23.4 hr Mus musculus
T1/2 16.5 hr Mus musculus
T1/2 23.4 hr Mus musculus
T1/2 18.7 hr Mus musculus
T1/2 18.7 hr Mus musculus
Tmax 2.0 hr Mus musculus
Tmax 2.0 hr Mus musculus
Tmax 2.67 hr Mus musculus
Tmax 2.67 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mycobacterium tuberculosis IC50 = 100.0 nM 7.0 Antibacterial activity against Mycobacterium tuberculosis clinical isolate N0145... 38516593
Unchecked IC50 = 6200.0 nM 5.21 Inhibition of Mycobacterium bovis BCG cytochrome bd oxidase with ATP synthase ov... 38516593

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3832761 Mycobacterium tuberculosis 17
28527405 10.1016/j.ejmech.2017.05.021 Mus musculus 8
24870926 10.1021/jm5003606 Mus musculus 8
30692025 10.1016/j.bmc.2019.01.022 ADMET 5
30654236 10.1016/j.ejmech.2018.12.071 ADMET 4
30654236 10.1016/j.ejmech.2018.12.071 Mycobacterium tuberculosis 3
38516593 10.1039/d3md00587a Mycobacterium tuberculosis 3
30692025 10.1016/j.bmc.2019.01.022 Mycobacterium tuberculosis 3
31229874 10.1016/j.ejmech.2019.06.038 Mycobacterium tuberculosis 3
35612311 10.1021/acs.jmedchem.2c00227 Mycobacterium tuberculosis 3
25173852 10.1016/j.ejmech.2014.08.066 Mycobacterium tuberculosis 3
28527405 10.1016/j.ejmech.2017.05.021 Mycobacterium tuberculosis 2
24870926 10.1021/jm5003606 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
26191372 10.1021/acsmedchemlett.5b00176 Mycobacterium tuberculosis 2
34046598 10.1039/d0md00390e Unchecked 2
24870926 10.1021/jm5003606 No relevant target 2
34046598 10.1039/d0md00390e Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine