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Compound Detail

CHEMBL60339

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N=C(N)c1ccc2[nH]c(-c3ccc(-c4ccc(N)cc4)o3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL60339
Phase Preclinical
Structure Type MOL
InChI Key FPLVVLOQPAJKFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.36
ALogP
4
HBA
4
HBD
117.7
PSA (Ų)
0.26
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N5O
MW 317.35
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
11985467 10.1021/jm010539n B16 1

Data from ChEMBL 36 via Core Engine