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Compound Detail

CHEMBL3990333

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COc1cc(OC)cc(N(CCCNC(=O)C(F)(F)F)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990333
Phase Preclinical
Structure Type MOL
InChI Key GHNNOOKRRJQEEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.5
MW (Da)
4.24
ALogP
7
HBA
2
HBD
105.3
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23F3N6O3
MW 500.48
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.24

Data from ChEMBL 36 via Core Engine