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Compound Detail

CHEMBL4173121

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Cc1cc(Cl)cc2c1NC(c1c[nH]nc1-c1ccc(Br)cc1)NC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173121
Phase Preclinical
Structure Type MOL
InChI Key QJQCNLRJDPNCKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.7
MW (Da)
4.66
ALogP
3
HBA
3
HBD
69.8
PSA (Ų)
0.57
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 C18H14BrClN4O
MW 417.69
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
29723786 10.1016/j.ejmech.2018.04.045 Transient receptor potential cation channel subfamily M member 2 3

Data from ChEMBL 36 via Core Engine