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Compound Detail

CHEMBL3990642

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O=C(O)[C@]1(Cc2cccc(Nc3cc[nH]n3)n2)CC[C@@H](Sc2cccc(Cl)c2Cl)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990642
Phase Preclinical
Structure Type MOL
InChI Key WOMKQOXPOGODKV-VVONHTQRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.4
MW (Da)
6.20
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.38
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 C22H22Cl2N4O2S
MW 477.42
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.07

Data from ChEMBL 36 via Core Engine