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Compound Detail

CHEMBL5222887

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Cc1nc(N)sc1-c1ccc(N/C(N)=N/C(=O)NCC(C)C2CCCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5222887
Phase Preclinical
Structure Type MOL
InChI Key CDZGYTJJJXXWBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.6
MW (Da)
4.35
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N6OS
MW 414.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.78

Data from ChEMBL 36 via Core Engine