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Compound Detail

CHEMBL3716192

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CCc1ccc(-c2ccc(C(=O)NCC(=O)N[C@@H]3CCCc4ccccc43)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3716192
Phase Preclinical
Structure Type MOL
InChI Key VXCXQHXZHNKMDG-RUZDIDTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.84
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.61
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 C27H28N2O2
MW 412.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.92

Data from ChEMBL 36 via Core Engine