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Compound Detail

CHEMBL1205204

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O=C(OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cn(CCCCc2nnn[nH]2)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205204
Phase Preclinical
Structure Type MOL
InChI Key XWSOHSQAJGNFGQ-XFJIVUHKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

810.8
MW (Da)
5.74
ALogP
9
HBA
4
HBD
171.1
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H36F6N8O5
MW 810.76
Aromatic Rings 6
Heavy Atoms 58
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine