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Compound Detail

CHEMBL42735

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N=C(N)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)Nc2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL42735
Phase Preclinical
Structure Type MOL
InChI Key OKHDHMIZVLFMSU-GJZGRUSLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

364.4
MW (Da)
1.47
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N6O2
MW 364.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
15026037 10.1016/j.bmcl.2004.01.070 Histidine-rich protein PFHRP-II 1

Data from ChEMBL 36 via Core Engine