Details of the Drug

General Information of Drug (ID: DMMYUWT)

Drug Name

GSK-923295

Synonyms

1088965-37-0; GSK-923295; GSK923295; 3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide; 3-Chloro-N-((S)-1-(2-(dimethylamino)acetamido)-3-(4-(8-((S)-1-hydroxyethyl)-imidazo[1,2-a]pyridin-2-yl)phenyl)propan-2-yl)-4-isopropoxybenzamide; GSK 923295; MLS006011170; SCHEMBL1492164; UNII-072702W9QD; CTK8C0600; DTXSID50677145; GSK-295; AOB5937; EX-A633; MolPort-023-332-816; GSK-923295A; BCP09858; ANW-64945; s7090; ZINC68151184; AKOS016005270

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Terminated	[1]
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Therapeutic Class

Anticancer Agents

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

592.1

Logarithm of the Partition Coefficient (xlogp)

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C32H38ClN5O4
IUPAC Name: 3-chloro-N-[(2S)-1-[[2-(dimethylamino)acetyl]amino]-3-[4-[8-[(1S)-1-hydroxyethyl]imidazo[1,2-a]pyridin-2-yl]phenyl]propan-2-yl]-4-propan-2-yloxybenzamide
Canonical SMILES: C[C@@H](C1=CC=CN2C1=NC(=C2)C3=CC=C(C=C3)C[C@@H](CNC(=O)CN(C)C)NC(=O)C4=CC(=C(C=C4)OC(C)C)Cl)O
InChI: InChI=1S/C32H38ClN5O4/c1-20(2)42-29-13-12-24(16-27(29)33)32(41)35-25(17-34-30(40)19-37(4)5)15-22-8-10-23(11-9-22)28-18-38-14-6-7-26(21(3)39)31(38)36-28/h6-14,16,18,20-21,25,39H,15,17,19H2,1-5H3,(H,34,40)(H,35,41)/t21-,25-/m0/s1
InChIKey: WHMXDBPHBVLYRC-OFVILXPXSA-N

Cross-matching ID

PubChem CID: 46898058
CAS Number: 1088965-37-0
DrugBank ID: DB06097
TTD ID: D00XEU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Centromeric protein E (CENPE)	TTZD5QR	CENPE_HUMAN	Inhibitor	[2]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
G2/mitotic-specific cyclin-B1 (CCNB1)	OT19S7E5	CCNB1_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800026868)
2	Cytokinetics Announces Non-Clinical Trial Data Presented at 2007 AACR Annual Meeting. Cytokinetics, Incorporated. 2007.
3	Maximizing Anticancer Response with MPS1 and CENPE Inhibition Alongside Apoptosis Induction. Pharmaceutics. 2023 Dec 29;16(1):56. doi: 10.3390/pharmaceutics16010056.