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Compound Detail

CHEMBL2059028

TIMCODAR
🧪 Phase II
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🧪 Phase II
COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2059028
Name TIMCODAR
Phase Phase II
Structure Type MOL
InChI Key MQSMWZHHUGSULF-QNGWXLTQSA-N

Known Names

Timcodar Vx-853
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
2
Known Names
1
Indications

Molecular Properties

749.3
MW (Da)
7.07
ALogP
8
HBA
0
HBD
111.2
PSA (Ų)
0.07
QED
2
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -dar
USAN Year 1998

Extended Properties

Molecular Formula C43H45ClN4O6
MW 749.31
Aromatic Rings 5
Heavy Atoms 54
NP-Likeness -0.37

Indications

Neoplasms

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
22455444 10.1021/jm201746x Peptidyl-prolyl cis-trans isomerase FKBP1A 1
22455444 10.1021/jm201746x Peptidyl-prolyl cis-trans isomerase FKBP5 1
22455444 10.1021/jm201746x Peptidyl-prolyl cis-trans isomerase FKBP4 1
35483322 10.1016/j.ejmech.2022.114346 Broad substrate specificity ATP-binding cassette transporter ABCG2 1

Data from ChEMBL 36 via Core Engine