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Compound Detail

CHEMBL5499128

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C(=C/c1nc2ccc(C3=NCCN3)cc2s1)\c1nc2ccc(C3=NCCN3)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499128
Phase Preclinical
Structure Type MOL
InChI Key WQPQMNDHURRQIU-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.78
ALogP
8
HBA
2
HBD
74.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N6S2
MW 430.56
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine