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Compound Detail

CHEMBL422735

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C#CCN(Cc1ccc2nc(C)nc(O)c2c1)c1cccc(C#C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL422735
Phase Preclinical
Structure Type MOL
InChI Key CXPOQDNCSWFLHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

327.4
MW (Da)
3.26
ALogP
4
HBA
1
HBD
49.2
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O
MW 327.39
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
8632414 10.1021/jm9502652 Thymidylate synthase 4
8632414 10.1021/jm9502652 L1210 2
8632414 10.1021/jm9502652 CCRF-CEM 2

Data from ChEMBL 36 via Core Engine