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Compound Detail

CHEMBL4597732

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CCN1CCN(c2cc(Nc3ncc(-c4cncnc4)s3)nc(C)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597732
Phase Preclinical
Structure Type MOL
InChI Key WFHXOLHVOPFWCI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.5
MW (Da)
2.58
ALogP
9
HBA
1
HBD
83.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N8S
MW 382.50
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.17

Data from ChEMBL 36 via Core Engine