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Compound Detail

CHEMBL3800731

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N#C[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)[C@@H](N)CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3800731
Phase Preclinical
Structure Type MOL
InChI Key HKVOCMROCHXFNB-OUJCMCIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
2.29
ALogP
5
HBA
1
HBD
93.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29F2N5O2
MW 493.56
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine