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Compound Detail

CHEMBL5095962

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CC(C)CS(=O)(=O)N[C@H]1CC[C@H](Nc2nc(N)c(C(=O)c3c(F)cc(CN)cc3F)s2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095962
Phase Preclinical
Structure Type MOL
InChI Key HYAMKNHIFCNADY-HDJSIYSDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
2.99
ALogP
8
HBA
4
HBD
140.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H29F2N5O3S2
MW 501.63
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -1.31

Data from ChEMBL 36 via Core Engine