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Compound Detail

CHEMBL5499109

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c1cc2nc(CCCCc3nc4ccc(C5=NCCN5)cc4s3)sc2cc1C1=NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5499109
Phase Preclinical
Structure Type MOL
InChI Key MSHPBTBGTJNHQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.6
MW (Da)
4.17
ALogP
8
HBA
2
HBD
74.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N6S2
MW 460.63
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.85

Data from ChEMBL 36 via Core Engine