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Compound Detail

CHEMBL5414809

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O=C(NC1CCC(Cc2ccccc2)CC1)C1CCN(c2nnc(-c3ccccc3)o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5414809
Phase Preclinical
Structure Type MOL
InChI Key IENMINLHBNTIJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

444.6
MW (Da)
4.87
ALogP
5
HBA
1
HBD
71.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H32N4O2
MW 444.58
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
37736177 10.1021/acsmedchemlett.3c00295 Mycobacterium tuberculosis 2
37736177 10.1021/acsmedchemlett.3c00295 HepG2 2

Data from ChEMBL 36 via Core Engine