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Compound Detail

CHEMBL326198

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CC(C)=CCN1Cc2cc(Cl)cc3nc(NC#N)n(c23)CC1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL326198
Phase Preclinical
Structure Type MOL
InChI Key IKVFAKQWGKMLDP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
3.75
ALogP
5
HBA
1
HBD
56.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20ClN5
MW 329.84
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
1956037 10.1021/jm00115a007 MT4 1

Data from ChEMBL 36 via Core Engine