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Compound Detail

CHEMBL5499276

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c1cc2nc(CCc3nc4ccc(C5=NCCN5)cc4s3)sc2cc1C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499276
Phase Preclinical
Structure Type MOL
InChI Key MPMWCOHSARQIHD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

432.6
MW (Da)
3.39
ALogP
8
HBA
2
HBD
74.6
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N6S2
MW 432.58
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine