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Compound Detail

CHEMBL4536748

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Nc1cc(-c2ccc3ccn(Cc4ccc(CN5CCCC5)cc4)c3c2)[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4536748
Phase Preclinical
Structure Type MOL
InChI Key QHKSDDZUHNXXME-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
4.26
ALogP
4
HBA
2
HBD
62.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25N5
MW 371.49
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.15

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Mycobacterium tuberculosis 4
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 3

Data from ChEMBL 36 via Core Engine