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Compound Detail

CHEMBL1198974

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COc1ccc(C[C@@H](C)CN2C[C@H]3CCCC[C@H]3[C@@H](C(=O)N3CCN(c4ccc(F)c(F)c4)CC3)C2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198974
Phase Preclinical
Structure Type MOL
InChI Key RDSAUPRYZCQORM-KJMYBWGMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

526.7
MW (Da)
4.63
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.53
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40F2N4O2
MW 526.67
Aromatic Rings 2
Heavy Atoms 38
NP-Likeness -1.22

Data from ChEMBL 36 via Core Engine