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Compound Detail

CHEMBL2219729

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c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3c[nH]c4ccccc34)CN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2219729
Phase Preclinical
Structure Type MOL
InChI Key BLRIDYOFJACMTQ-ZEQKJWHPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

395.6
MW (Da)
5.21
ALogP
2
HBA
3
HBD
39.9
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3
MW 395.55
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness 0.01

Data from ChEMBL 36 via Core Engine