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Compound Detail

CHEMBL1185247

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CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(-c4c(F)cccc4F)nc3-c3ccccc3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185247
Phase Preclinical
Structure Type MOL
InChI Key YPPFJYHTYBQSED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
6.67
ALogP
4
HBA
2
HBD
72.5
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25F2N5
MW 457.53
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine