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Compound Detail

CHEMBL4642509

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CCSc1cc([C@](O)(CCN(C)C)[C@@H](c2cc3cc(Br)ccc3nc2OC)c2ccnc(OC)c2OC)cc(N(C)C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642509
Phase Preclinical
Structure Type MOL
InChI Key UAWQGTLWZYKCAW-AKGWNBJDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

670.7
MW (Da)
5.96
ALogP
10
HBA
1
HBD
93.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H40BrN5O4S
MW 670.67
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
31810890 10.1016/j.bmc.2019.115213 Mycobacterium tuberculosis 2
31810890 10.1016/j.bmc.2019.115213 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine