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Compound Detail

CHEMBL3330242

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NCc1cccc(-c2n[nH]c3cccc(Cl)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330242
Phase Preclinical
Structure Type MOL
InChI Key RTCPTVMVVUEHFS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

257.7
MW (Da)
3.34
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.74
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 C14H12ClN3
MW 257.72
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
25043312 10.1016/j.bmc.2014.06.027 Dual specificity protein kinase TTK 1

Data from ChEMBL 36 via Core Engine