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Compound Detail

CHEMBL3139423

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CCCCc1cccc(N2[C@@H]3CC[C@H]2C[C@H](OC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3139423
Phase Preclinical
Structure Type MOL
InChI Key ZRRLKHSDKYGBML-PKQPGRETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.5
MW (Da)
8.64
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H33Cl2NO
MW 494.51
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.17

Data from ChEMBL 36 via Core Engine