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Compound Detail

CHEMBL5095895

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Cc1noc(C)c1-c1ccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095895
Phase Preclinical
Structure Type MOL
InChI Key KAUXKMRRDIDIRK-ZDUSSCGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

457.5
MW (Da)
4.47
ALogP
7
HBA
3
HBD
104.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F3N7O
MW 457.46
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.11

Data from ChEMBL 36 via Core Engine