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Compound Detail

CHEMBL3990933

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COc1cc(OC)cc(N(CC(O)CN2CCC(F)(F)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990933
Phase Preclinical
Structure Type MOL
InChI Key NZDLWTDYPHSIJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

524.6
MW (Da)
3.89
ALogP
9
HBA
1
HBD
88.8
PSA (Ų)
0.35
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 C27H30F2N6O3
MW 524.57
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine