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Compound Detail

CHEMBL3990099

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N=c1[nH]nc([C@]2(Cc3cccc(Nc4cc[nH]n4)n3)CC[C@@H](Oc3cccc(C(F)(F)F)c3F)CC2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990099
Phase Preclinical
Structure Type MOL
InChI Key LZDKXNMQBDZCFD-CWSKOGRWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

517.5
MW (Da)
5.00
ALogP
7
HBA
4
HBD
128.5
PSA (Ų)
0.26
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23F4N7O2
MW 517.49
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine