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Compound Detail

CHEMBL3290348

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COc1cnc2ncc(=O)n(CCN3CCC(NCc4cnc(C)c(C#N)c4)CC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3290348
Phase Preclinical
Structure Type MOL
InChI Key OKHVIXOIPCOUGH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
1.63
ALogP
9
HBA
1
HBD
109.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N7O2
MW 433.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
24809953 10.1021/jm500432n Caco-2 2
24809953 10.1021/jm500432n Mycobacterium tuberculosis 1
24809953 10.1021/jm500432n No relevant target 1
24809953 10.1021/jm500432n Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine