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Compound Detail

CHEMBL1946713

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N#Cc1ccc(N2CCN(c3ccc(C#N)cc3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946713
Phase Preclinical
Structure Type MOL
InChI Key RLQAJUVIPVAGHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
2.76
ALogP
4
HBA
0
HBD
54.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4
MW 288.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
22301215 10.1016/j.ejmech.2011.12.035 Mycobacterium tuberculosis 3
- 10.1007/s00044-005-0130-2 Unchecked 2
- 10.1007/s00044-005-0130-2 DNA 1
- 10.1007/s00044-005-0130-2 MCF7 1
- 10.1007/s00044-005-0130-2 SF-268 1
- 10.1007/s00044-005-0130-2 NCI-H460 1
- 10.1007/s00044-005-0130-2 Pneumocystis carinii 1

Data from ChEMBL 36 via Core Engine