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Compound Detail

CHEMBL2000036

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O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl)N1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2000036
Phase Preclinical
Structure Type MOL
InChI Key RRZOVWQBLCYHHP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

429.2
MW (Da)
4.96
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2F3N4O
MW 429.23
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.96

Data from ChEMBL 36 via Core Engine