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Compound Detail

CHEMBL3752133

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O=C(N/N=C/c1cccnc1)c1ccc(-c2nnc(-c3ccc4ncccc4c3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3752133
Phase Preclinical
Structure Type MOL
InChI Key BXJNHDMEGHHKIO-JFLMPSFJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

420.4
MW (Da)
4.11
ALogP
7
HBA
1
HBD
106.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H16N6O2
MW 420.43
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00280J ADMET 2
- 10.1039/C5MD00280J Unchecked 1

Data from ChEMBL 36 via Core Engine