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Compound Detail

CHEMBL3991140

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Fc1ccc(-c2c[nH]c(C3CCN(c4ncnc5[nH]ccc45)CC3)n2)cc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991140
Phase Preclinical
Structure Type MOL
InChI Key IEQAHFTVGLZUBI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.4
MW (Da)
4.89
ALogP
4
HBA
2
HBD
73.5
PSA (Ų)
0.45
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 C21H18F4N6
MW 430.41
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.42

Data from ChEMBL 36 via Core Engine